5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C11H17N5O — CID 80836952

IUPAC5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1ncnc(NCC2CCC(=O)N2)c1C
InChIInChI=1S/C11H17N5O/c1-7-10(12-2)14-6-15-11(7)13-5-8-3-4-9(17)16-8/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBMBREYGFAPRPRP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.52
Rot. Bonds4

About 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80836952) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80836952
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCNc1ncnc(NCC2CCC(=O)N2)c1C
InChIInChI=1S/C11H17N5O/c1-7-10(12-2)14-6-15-11(7)13-5-8-3-4-9(17)16-8/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBMBREYGFAPRPRP-UHFFFAOYSA-N
XLogP0.52
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
(5R)-5-[[(3-chloro-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 166271449
5-[[(3-bromo-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 106875761
(5R)-5-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 39781719
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837512
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 66279832
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 80836952) is 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CNc1ncnc(NCC2CCC(=O)N2)c1C.
What is the InChIKey of 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is BMBREYGFAPRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-10(12-2)14-6-15-11(7)13-5-8-3-4-9(17)16-8/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80836952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).