N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C15H19FN4OS — CID 139319848

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCCC[C@H]2F)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C15H19FN4OS/c1-9-8-22-15(17-9)14-19-12(7-13(20-14)21-2)18-11-6-4-3-5-10(11)16/h7-8,10-11H,3-6H2,1-2H3,(H,18,19,20)/t10-,11-/m1/s1
InChIKeyVUODFFXWRPUCFH-GHMZBOCLSA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds4

About N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139319848) has the molecular formula C15H19FN4OS and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139319848
Molecular FormulaC15H19FN4OS
Molecular Weight322.41 g/mol
Exact Mass322.13
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCCC[C@H]2F)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C15H19FN4OS/c1-9-8-22-15(17-9)14-19-12(7-13(20-14)21-2)18-11-6-4-3-5-10(11)16/h7-8,10-11H,3-6H2,1-2H3,(H,18,19,20)/t10-,11-/m1/s1
InChIKeyVUODFFXWRPUCFH-GHMZBOCLSA-N
XLogP3.61
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139319848) is N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is COc1cc(N[C@@H]2CCCC[C@H]2F)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is VUODFFXWRPUCFH-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19FN4OS/c1-9-8-22-15(17-9)14-19-12(7-13(20-14)21-2)18-11-6-4-3-5-10(11)16/h7-8,10-11H,3-6H2,1-2H3,(H,18,19,20)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139319848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).