2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

C19H22F5N7 — CID 144771072

IUPAC2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3nccc(C(F)F)n3)n2)C1
InChIInChI=1S/C19H22F5N7/c1-18(22)5-2-10(8-18)26-16-29-15(14-25-7-4-12(28-14)13(20)21)30-17(31-16)27-11-3-6-19(23,24)9-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H2,26,27,29,30,31)
InChIKeyRMQOJBLHCOWBGJ-UHFFFAOYSA-N
MW443.42 g/mol
LogP4.56
Rot. Bonds6

About 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 144771072) has the molecular formula C19H22F5N7 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID144771072
Molecular FormulaC19H22F5N7
Molecular Weight443.42 g/mol
Exact Mass443.19
IUPAC Name2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3nccc(C(F)F)n3)n2)C1
InChIInChI=1S/C19H22F5N7/c1-18(22)5-2-10(8-18)26-16-29-15(14-25-7-4-12(28-14)13(20)21)30-17(31-16)27-11-3-6-19(23,24)9-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H2,26,27,29,30,31)
InChIKeyRMQOJBLHCOWBGJ-UHFFFAOYSA-N
XLogP4.56
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 144771072) is 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3nccc(C(F)F)n3)n2)C1.
What is the InChIKey of 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RMQOJBLHCOWBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F5N7/c1-18(22)5-2-10(8-18)26-16-29-15(14-25-7-4-12(28-14)13(20)21)30-17(31-16)27-11-3-6-19(23,24)9-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H2,26,27,29,30,31).
What are the key properties of 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 443.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-difluorocyclopentyl)-6-[4-(difluoromethyl)pyrimidin-2-yl]-4-N-(3-fluoro-3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 144771072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).