2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one

C14H23N3OS — CID 136723620

IUPAC2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3OS/c1-19-9-5-3-2-4-8-15-12-10-13(18)17-14(16-12)11-6-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyGAJLHMHFRASXRY-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.98
Rot. Bonds9

About 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one (PubChem CID 136723620) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
PubChem CID136723620
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3OS/c1-19-9-5-3-2-4-8-15-12-10-13(18)17-14(16-12)11-6-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,18)
InChIKeyGAJLHMHFRASXRY-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842341
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
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-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
2-cyclopropyl-4-[2-(3-hydroxypropylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136730538
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one (CID 136723620) is 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one is CSCCCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
The InChIKey is GAJLHMHFRASXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-19-9-5-3-2-4-8-15-12-10-13(18)17-14(16-12)11-6-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one has a molecular weight of 281.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136723620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).