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

C14H23N3OS — CID 136762587

IUPAC2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1cc(=O)[nH]c(C2CC2)n1)SC
InChIInChI=1S/C14H23N3OS/c1-4-14(5-2,19-3)9-15-11-8-12(18)17-13(16-11)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyXQBPFABJBJSREG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.98
Rot. Bonds7

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

2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136762587) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136762587
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CNc1cc(=O)[nH]c(C2CC2)n1)SC
InChIInChI=1S/C14H23N3OS/c1-4-14(5-2,19-3)9-15-11-8-12(18)17-13(16-11)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyXQBPFABJBJSREG-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-cyclopropyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842341
2-cyclopropyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701821
4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136704107
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
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
4-[(2-methylsulfanylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730587
2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730588
2-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750471

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one (CID 136762587) is 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is CCC(CC)(CNc1cc(=O)[nH]c(C2CC2)n1)SC.
What is the InChIKey of 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XQBPFABJBJSREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-14(5-2,19-3)9-15-11-8-12(18)17-13(16-11)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 281.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).