2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine

C15H25N7 — CID 70232922

IUPAC2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
SMILESCCCNc1nc(NCCC)c2ncnc(NCCC)c2n1
InChIInChI=1S/C15H25N7/c1-4-7-16-13-12-11(19-10-20-13)14(17-8-5-2)22-15(21-12)18-9-6-3/h10H,4-9H2,1-3H3,(H,16,19,20)(H2,17,18,21,22)
InChIKeyLJRZFVPGYCJKHG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.89
Rot. Bonds9

About 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine

2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine (PubChem CID 70232922) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine.

Molecular Properties

Compound Name2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
PubChem CID70232922
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
SMILESCCCNc1nc(NCCC)c2ncnc(NCCC)c2n1
InChIInChI=1S/C15H25N7/c1-4-7-16-13-12-11(19-10-20-13)14(17-8-5-2)22-15(21-12)18-9-6-3/h10H,4-9H2,1-3H3,(H,16,19,20)(H2,17,18,21,22)
InChIKeyLJRZFVPGYCJKHG-UHFFFAOYSA-N
XLogP2.89
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456696
6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299498
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 134520116
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
CID 134520331
2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine?
The IUPAC name of 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine (CID 70232922) is 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine.
What is the SMILES notation for 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine?
The canonical SMILES for 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine is CCCNc1nc(NCCC)c2ncnc(NCCC)c2n1.
What is the InChIKey of 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine?
The InChIKey is LJRZFVPGYCJKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-4-7-16-13-12-11(19-10-20-13)14(17-8-5-2)22-15(21-12)18-9-6-3/h10H,4-9H2,1-3H3,(H,16,19,20)(H2,17,18,21,22).
What are the key properties of 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine?
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine has a molecular weight of 303.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine is sourced from PubChem (CID 70232922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).