2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

C12H15N7OS — CID 80873934

IUPAC2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCNc1nc(Sc2nccc(=O)[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C12H15N7OS/c1-13-9-16-10(19-6-2-3-7-19)18-12(17-9)21-11-14-5-4-8(20)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,20)(H,13,16,17,18)
InChIKeyWIRTWAIADHNXJX-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.75
Rot. Bonds4

About 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 80873934) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID80873934
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCNc1nc(Sc2nccc(=O)[nH]2)nc(N2CCCC2)n1
InChIInChI=1S/C12H15N7OS/c1-13-9-16-10(19-6-2-3-7-19)18-12(17-9)21-11-14-5-4-8(20)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,20)(H,13,16,17,18)
InChIKeyWIRTWAIADHNXJX-UHFFFAOYSA-N
XLogP0.75
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
4-methyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80882363
4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80873438
N-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80894979
2-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 114566668
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893711
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885488
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (CID 80873934) is 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is CNc1nc(Sc2nccc(=O)[nH]2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is WIRTWAIADHNXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c1-13-9-16-10(19-6-2-3-7-19)18-12(17-9)21-11-14-5-4-8(20)15-11/h4-5H,2-3,6-7H2,1H3,(H,14,15,20)(H,13,16,17,18).
What are the key properties of 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 305.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 80873934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).