N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C14H16F2N4OS — CID 139319863

IUPACN-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)C2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C14H16F2N4OS/c1-8-7-22-13(17-8)12-19-10(5-11(20-12)21-2)18-9-3-4-14(15,16)6-9/h5,7,9H,3-4,6H2,1-2H3,(H,18,19,20)
InChIKeyRGFODAJBFHLTAW-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.52
Rot. Bonds4

About N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139319863) has the molecular formula C14H16F2N4OS and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139319863
Molecular FormulaC14H16F2N4OS
Molecular Weight326.37 g/mol
Exact Mass326.10
IUPAC NameN-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)C2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C14H16F2N4OS/c1-8-7-22-13(17-8)12-19-10(5-11(20-12)21-2)18-9-3-4-14(15,16)6-9/h5,7,9H,3-4,6H2,1-2H3,(H,18,19,20)
InChIKeyRGFODAJBFHLTAW-UHFFFAOYSA-N
XLogP3.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139319863) is N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is COc1cc(NC2CCC(F)(F)C2)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is RGFODAJBFHLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4OS/c1-8-7-22-13(17-8)12-19-10(5-11(20-12)21-2)18-9-3-4-14(15,16)6-9/h5,7,9H,3-4,6H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 326.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139319863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).