4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3OS — CID 136730587

IUPAC4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3OS/c1-9(2)14-16-12(8-13(18)17-14)15-10-6-4-5-7-11(10)19-3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUWHPRYIJRQQPET-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.98
Rot. Bonds4

About 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136730587) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136730587
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H23N3OS/c1-9(2)14-16-12(8-13(18)17-14)15-10-6-4-5-7-11(10)19-3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUWHPRYIJRQQPET-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
4-(6-methylsulfanylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723619
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
2-propan-2-yl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726591
4-[(3-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730577
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578
2-ethyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730583
2-methyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730584
2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730588
4-[(1-methylsulfanylcyclopropyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762576
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762585
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762587

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136730587) is 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CSC1CCCCC1Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UWHPRYIJRQQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(2)14-16-12(8-13(18)17-14)15-10-6-4-5-7-11(10)19-3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 281.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).