6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine

C18H22ClN5 — CID 146258692

IUPAC6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC2CC2)nc(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C18H22ClN5/c1-11(13-4-5-13)21-18-23-16(14-6-8-15(19)9-7-14)22-17(24-18)20-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyHJMXIVGLPZPVCX-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.22
Rot. Bonds7

About 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine

6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 146258692) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID146258692
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC2CC2)nc(-c2ccc(Cl)cc2)n1)C1CC1
InChIInChI=1S/C18H22ClN5/c1-11(13-4-5-13)21-18-23-16(14-6-8-15(19)9-7-14)22-17(24-18)20-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyHJMXIVGLPZPVCX-UHFFFAOYSA-N
XLogP4.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 146258694
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 126624883
6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
CID 135243389
2-N,4-N-bis(1-cyclopropylethyl)-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 123878608
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 138580125
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230
6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
CID 80782289
8-bromo-4-N-(1-cyclopropylethyl)-2-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 135382723
2-(4-chlorophenyl)-5,6-dimethyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 56768195
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 123967056

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine (CID 146258692) is 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NCC2CC2)nc(-c2ccc(Cl)cc2)n1)C1CC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HJMXIVGLPZPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-11(13-4-5-13)21-18-23-16(14-6-8-15(19)9-7-14)22-17(24-18)20-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine?
6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 343.86 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146258692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).