6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine

C13H21N3OS — CID 114123922

IUPAC6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(SC)CC2)nc(C)n1
InChIInChI=1S/C13H21N3OS/c1-9-14-12(8-13(15-9)17-2)16-10-4-6-11(18-3)7-5-10/h8,10-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZLRSWIVTGSGTPL-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.88
Rot. Bonds4

About 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine

6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine (PubChem CID 114123922) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
PubChem CID114123922
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
SMILESCOc1cc(NC2CCC(SC)CC2)nc(C)n1
InChIInChI=1S/C13H21N3OS/c1-9-14-12(8-13(15-9)17-2)16-10-4-6-11(18-3)7-5-10/h8,10-11H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyZLRSWIVTGSGTPL-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,4-dimethylcyclohexyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66327750
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 66326324
6-methoxy-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
CID 103967188
2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 82456779
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778318
6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 66324652
N-cyclohexyl-2-methyl-6-propoxypyrimidin-4-amine
CID 82454018
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine (CID 114123922) is 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine is COc1cc(NC2CCC(SC)CC2)nc(C)n1.
What is the InChIKey of 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ZLRSWIVTGSGTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-14-12(8-13(15-9)17-2)16-10-4-6-11(18-3)7-5-10/h8,10-11H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine?
6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 114123922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).