2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one

C15H21N5O — CID 168977195

IUPAC2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one
SMILESCC(C)(C)N[C@H]1CCN(c2ncc3[nH]c(=O)ccc3n2)C1
InChIInChI=1S/C15H21N5O/c1-15(2,3)19-10-6-7-20(9-10)14-16-8-12-11(18-14)4-5-13(21)17-12/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,17,21)/t10-/m0/s1
InChIKeyLIRPWIPVNLMBLM-JTQLQIEISA-N
MW287.37 g/mol
LogP1.28
Rot. Bonds2

About 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one

2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one (PubChem CID 168977195) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one
PubChem CID168977195
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one
SMILESCC(C)(C)N[C@H]1CCN(c2ncc3[nH]c(=O)ccc3n2)C1
InChIInChI=1S/C15H21N5O/c1-15(2,3)19-10-6-7-20(9-10)14-16-8-12-11(18-14)4-5-13(21)17-12/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,17,21)/t10-/m0/s1
InChIKeyLIRPWIPVNLMBLM-JTQLQIEISA-N
XLogP1.28
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]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

N-tert-butyl-1-(6-trimethylstannyl-1,5-naphthyridin-2-yl)pyrrolidin-3-amine
CID 162433618
(3S)-N-tert-butyl-1-[6-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 168976925
(3R)-N-tert-butyl-1-[6-(2-methylpropyl)-3-pyridinyl]pyrrolidin-3-amine
CID 139363260
N-tert-butyl-1-[6-[2-methyl-4-(2H-triazol-4-yl)phenyl]-1,2,4-triazin-3-yl]pyrrolidin-3-amine
CID 139549123
2-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-5-(triazol-2-yl)phenol
CID 139536424
2-amino-5H-pyrido[3,2-d]pyrimidin-6-one;hydrochloride
CID 171477205
6-[3-[3-(tert-butylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]-2-fluoro-3-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536639
N-tert-butyl-1-[6-[6-methoxy-5-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-1,2,4-triazin-3-yl]pyrrolidin-3-amine
CID 167502452
1-(6-bromoquinazolin-2-yl)-N-tert-butylpyrrolidine-3-carboxamide
CID 155800437
6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-4-(methyliminomethyl)pyridin-3-amine
CID 162433805
1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one
CID 153383646
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one?
The IUPAC name of 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one (CID 168977195) is 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one?
The canonical SMILES for 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one is CC(C)(C)N[C@H]1CCN(c2ncc3[nH]c(=O)ccc3n2)C1.
What is the InChIKey of 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one?
The InChIKey is LIRPWIPVNLMBLM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)19-10-6-7-20(9-10)14-16-8-12-11(18-14)4-5-13(21)17-12/h4-5,8,10,19H,6-7,9H2,1-3H3,(H,17,21)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one?
2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one has a molecular weight of 287.37 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-5H-pyrido[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 168977195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).