4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

C14H25ClN8 — CID 90456592

IUPAC4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESCCCNc1nc(NC)c2nc(NCCC)nc(NC)c2n1.Cl
InChIInChI=1S/C14H24N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-8H2,1-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H
InChIKeyZILIYGVZGGVKMH-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.57
Rot. Bonds8

About 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride

4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (PubChem CID 90456592) has the molecular formula C14H25ClN8 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.

Molecular Properties

Compound Name4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
PubChem CID90456592
Molecular FormulaC14H25ClN8
Molecular Weight340.86 g/mol
Exact Mass340.19
IUPAC Name4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
SMILESCCCNc1nc(NC)c2nc(NCCC)nc(NC)c2n1.Cl
InChIInChI=1S/C14H24N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-8H2,1-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H
InChIKeyZILIYGVZGGVKMH-UHFFFAOYSA-N
XLogP2.57
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride with MolForge

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Related Compounds

3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 134520466
4-N,8-N-dimethyl-2-N,6-N-bis(prop-2-enyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 118864845
2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
CID 148836551
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
CID 70232922
(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124

Frequently Asked Questions

What is the IUPAC name of 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The IUPAC name of 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride (CID 90456592) is 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride.
What is the SMILES notation for 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The canonical SMILES for 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is CCCNc1nc(NC)c2nc(NCCC)nc(NC)c2n1.Cl.
What is the InChIKey of 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
The InChIKey is ZILIYGVZGGVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8.ClH/c1-5-7-17-13-19-9-10(11(15-3)21-13)20-14(18-8-6-2)22-12(9)16-4;/h5-8H2,1-4H3,(H2,15,17,19,21)(H2,16,18,20,22);1H.
What are the key properties of 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride?
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.57, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride is sourced from PubChem (CID 90456592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).