2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C10H15N3OS — CID 136762573

IUPAC2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C10H15N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(15-2)3-4-10/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyGKHPBENEMVNRDY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.39
Rot. Bonds4

About 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762573) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762573
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C10H15N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(15-2)3-4-10/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14)
InChIKeyGKHPBENEMVNRDY-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842341
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
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-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726594
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
4-[(1-methylsulfanylcyclopropyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762576
4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762580
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762582
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136762585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136762573) is 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GKHPBENEMVNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-12-8(5-9(14)13-7)11-6-10(15-2)3-4-10/h5H,3-4,6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).