3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine

C15H17N7 — CID 159891582

IUPAC3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
SMILESCC(N)(CCN)c1nc(-c2ccncn2)nc2cnccc12
InChIInChI=1S/C15H17N7/c1-15(17,4-5-16)13-10-2-6-18-8-12(10)21-14(22-13)11-3-7-19-9-20-11/h2-3,6-9H,4-5,16-17H2,1H3
InChIKeyNUUXXDXMBIPOJC-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.00
Rot. Bonds4

About 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine

3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine (PubChem CID 159891582) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
PubChem CID159891582
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
SMILESCC(N)(CCN)c1nc(-c2ccncn2)nc2cnccc12
InChIInChI=1S/C15H17N7/c1-15(17,4-5-16)13-10-2-6-18-8-12(10)21-14(22-13)11-3-7-19-9-20-11/h2-3,6-9H,4-5,16-17H2,1H3
InChIKeyNUUXXDXMBIPOJC-UHFFFAOYSA-N
XLogP1.00
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pd 158780
CID 4707
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
SD-208
CID 10316032
Sri-9439
CID 446752
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine (CID 159891582) is 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine is CC(N)(CCN)c1nc(-c2ccncn2)nc2cnccc12.
What is the InChIKey of 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is NUUXXDXMBIPOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-15(17,4-5-16)13-10-2-6-18-8-12(10)21-14(22-13)11-3-7-19-9-20-11/h2-3,6-9H,4-5,16-17H2,1H3.
What are the key properties of 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine?
3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 295.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 159891582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).