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

C15H20N4OS — CID 139319883

IUPACN-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)14-18-12(8-13(19-14)20-2)17-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeySOXUYUDMDATVDR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.66
Rot. Bonds4

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

N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139319883) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139319883
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCCCC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)14-18-12(8-13(19-14)20-2)17-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,17,18,19)
InChIKeySOXUYUDMDATVDR-UHFFFAOYSA-N
XLogP3.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139319883) is N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is COc1cc(NC2CCCCC2)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is SOXUYUDMDATVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-9-21-15(16-10)14-18-12(8-13(19-14)20-2)17-11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139319883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).