2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

C11H15N3OS — CID 136726594

IUPAC2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCSC2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3OS/c15-10-5-9(12-8-3-4-16-6-8)13-11(14-10)7-1-2-7/h5,7-8H,1-4,6H2,(H2,12,13,14,15)
InChIKeyKAIXCUOINCYFDP-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136726594) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136726594
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCSC2)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15N3OS/c15-10-5-9(12-8-3-4-16-6-8)13-11(14-10)7-1-2-7/h5,7-8H,1-4,6H2,(H2,12,13,14,15)
InChIKeyKAIXCUOINCYFDP-UHFFFAOYSA-N
XLogP1.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.56
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-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723620
2-propan-2-yl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726591
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726600
2-cyclopropyl-4-[2-(3-hydroxypropylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136730538
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578
2-cyclopropyl-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730588
2-methyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762573
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
2-cyclopropyl-4-[(2-ethyl-2-methylsulfanylbutyl)amino]-1H-pyrimidin-6-one
CID 136762587

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (CID 136726594) is 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCSC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is KAIXCUOINCYFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-10-5-9(12-8-3-4-16-6-8)13-11(14-10)7-1-2-7/h5,7-8H,1-4,6H2,(H2,12,13,14,15).
What are the key properties of 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 237.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).