2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride

C14H25ClN8O — CID 134520124

IUPAC2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(NC(C)CO)nc(NC)nc12.Cl
InChIInChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(20-13(15-3)21-11)12(18-8(2)7-23)22-14(16-4)19-9;/h8,23H,5-7H2,1-4H3,(H2,15,17,20,21)(H2,16,18,19,22);1H
InChIKeyTTWQFYPAWLAXSH-UHFFFAOYSA-N
MW356.86 g/mol
LogP1.54
Rot. Bonds8

About 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride

2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride (PubChem CID 134520124) has the molecular formula C14H25ClN8O and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
PubChem CID134520124
Molecular FormulaC14H25ClN8O
Molecular Weight356.86 g/mol
Exact Mass356.18
IUPAC Name2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(NC(C)CO)nc(NC)nc12.Cl
InChIInChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(20-13(15-3)21-11)12(18-8(2)7-23)22-14(16-4)19-9;/h8,23H,5-7H2,1-4H3,(H2,15,17,20,21)(H2,16,18,19,22);1H
InChIKeyTTWQFYPAWLAXSH-UHFFFAOYSA-N
XLogP1.54
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride with MolForge

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Related Compounds

(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
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
(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098
(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520316

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride?
The IUPAC name of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride (CID 134520124) is 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride?
The canonical SMILES for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride is CCCNc1nc(NC)nc2c(NC(C)CO)nc(NC)nc12.Cl.
What is the InChIKey of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride?
The InChIKey is TTWQFYPAWLAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(20-13(15-3)21-11)12(18-8(2)7-23)22-14(16-4)19-9;/h8,23H,5-7H2,1-4H3,(H2,15,17,20,21)(H2,16,18,19,22);1H.
What are the key properties of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride?
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 1.54, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 134520124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).