2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid

C18H20N6O2 — CID 135368674

IUPAC2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H20N6O2/c1-18(2,11-21-10-15(25)26)24-17-13-5-8-20-9-14(13)22-16(23-17)12-3-6-19-7-4-12/h3-9,21H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyHSMCNVBHTWKRPV-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.95
Rot. Bonds7

About 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid

2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid (PubChem CID 135368674) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
PubChem CID135368674
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid
SMILESCC(C)(CNCC(=O)O)Nc1nc(-c2ccncc2)nc2cnccc12
InChIInChI=1S/C18H20N6O2/c1-18(2,11-21-10-15(25)26)24-17-13-5-8-20-9-14(13)22-16(23-17)12-3-6-19-7-4-12/h3-9,21H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyHSMCNVBHTWKRPV-UHFFFAOYSA-N
XLogP1.95
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid 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-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 135368371
2-methyl-1-[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propoxy]propan-2-ol
CID 135368578
(2S)-3,3,3-trifluoro-2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 135368368
N-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368753
2-N,2-N,2-trimethyl-1-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 135368085
N-propyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 135368629
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 172774618
2-methyl-4-N-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)pentane-2,4-diamine
CID 152578272
[1-phenyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]urea
CID 86716626
1-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 172812602
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
4-[4-[(4-hydroxy-2,4-dimethylpentan-2-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 135368468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid?
The IUPAC name of 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid (CID 135368674) is 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid?
The canonical SMILES for 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid is CC(C)(CNCC(=O)O)Nc1nc(-c2ccncc2)nc2cnccc12.
What is the InChIKey of 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid?
The InChIKey is HSMCNVBHTWKRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-18(2,11-21-10-15(25)26)24-17-13-5-8-20-9-14(13)22-16(23-17)12-3-6-19-7-4-12/h3-9,21H,10-11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid?
2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid has a molecular weight of 352.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propyl]amino]acetic acid is sourced from PubChem (CID 135368674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).