4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine

C42H55Cl3F6N16 — CID 159530773

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine

4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine (PubChem CID 159530773) has the molecular formula C42H55Cl3F6N16 and a molecular weight of 1004.36 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine
• PubChem CID: 159530773
• Molecular Formula: C42H55Cl3F6N16
• Molecular Weight: 1004.36 g/mol
• Exact Mass: 1002.38
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine
• SMILES: Cc1nc(Cl)nc(Cl)n1.Cc1nc(Cl)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.NC1CCC(F)(F)CC1.c1cc(C2CC2)[nH]n1
• InChI: InChI=1S/C16H20F2N6.C10H13ClF2N4.C6H11F2N.C6H8N2.C4H3Cl2N3/c1-10-19-14(21-12-4-7-16(17,18)8-5-12)22-15(20-10)24-9-6-13(23-24)11-2-3-11;1-6-14-8(11)17-9(15-6)16-7-2-4-10(12,13)5-3-7;7-6(8)3-1-5(9)2-4-6;1-2-5(1)6-3-4-7-8-6;1-2-7-3(5)9-4(6)8-2/h6,9,11-12H,2-5,7-8H2,1H3,(H,19,20,21,22);7H,2-5H2,1H3,(H,14,15,16,17);5H,1-4,9H2;3-5H,1-2H2,(H,7,8);1H3
• InChIKey: MCYSIAHIHHJJMX-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 212.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1004.36
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine (CID 159530773) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine is Cc1nc(Cl)nc(Cl)n1.Cc1nc(Cl)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.NC1CCC(F)(F)CC1.c1cc(C2CC2)[nH]n1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine?

The InChIKey is MCYSIAHIHHJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6.C10H13ClF2N4.C6H11F2N.C6H8N2.C4H3Cl2N3/c1-10-19-14(21-12-4-7-16(17,18)8-5-12)22-15(20-10)24-9-6-13(23-24)11-2-3-11;1-6-14-8(11)17-9(15-6)16-7-2-4-10(12,13)5-3-7;7-6(8)3-1-5(9)2-4-6;1-2-5(1)6-3-4-7-8-6;1-2-7-3(5)9-4(6)8-2/h6,9,11-12H,2-5,7-8H2,1H3,(H,19,20,21,22);7H,2-5H2,1H3,(H,14,15,16,17);5H,1-4,9H2;3-5H,1-2H2,(H,7,8);1H3.

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine?

4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine has a molecular weight of 1004.36 g/mol, XLogP of 10.35, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;5-cyclopropyl-1H-pyrazole;4-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methyl-1,3,5-triazin-2-amine;2,4-dichloro-6-methyl-1,3,5-triazine;4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 159530773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).