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

C14H21N3OS — CID 136730588

IUPAC2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3OS/c1-19-11-5-3-2-4-10(11)15-12-8-13(18)17-14(16-12)9-6-7-9/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyAVPOHMGVFADKAO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.73
Rot. Bonds4

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

2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136730588) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136730588
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCCCC1Nc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H21N3OS/c1-19-11-5-3-2-4-10(11)15-12-8-13(18)17-14(16-12)9-6-7-9/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyAVPOHMGVFADKAO-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.73
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
2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726594
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
4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730587
4-[(1-methylsulfanylcyclopropyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762576
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762582

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136730588) is 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is CSC1CCCCC1Nc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AVPOHMGVFADKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-19-11-5-3-2-4-10(11)15-12-8-13(18)17-14(16-12)9-6-7-9/h8-11H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 279.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).