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

C15H27ClN8O — CID 134520392

IUPAC1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(NCC(C)(C)O)nc(NC)nc12.Cl
InChIInChI=1S/C15H26N8O.ClH/c1-6-7-18-11-9-10(21-13(16-4)22-11)12(19-8-15(2,3)24)23-14(17-5)20-9;/h24H,6-8H2,1-5H3,(H2,16,18,21,22)(H2,17,19,20,23);1H
InChIKeyIFYALVXUSLRFKL-UHFFFAOYSA-N
MW370.89 g/mol
LogP1.93
Rot. Bonds8

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

1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride (PubChem CID 134520392) has the molecular formula C15H27ClN8O and a molecular weight of 370.89 g/mol. Its IUPAC name is 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
PubChem CID134520392
Molecular FormulaC15H27ClN8O
Molecular Weight370.89 g/mol
Exact Mass370.20
IUPAC Name1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(NCC(C)(C)O)nc(NC)nc12.Cl
InChIInChI=1S/C15H26N8O.ClH/c1-6-7-18-11-9-10(21-13(16-4)22-11)12(19-8-15(2,3)24)23-14(17-5)20-9;/h24H,6-8H2,1-5H3,(H2,16,18,21,22)(H2,17,19,20,23);1H
InChIKeyIFYALVXUSLRFKL-UHFFFAOYSA-N
XLogP1.93
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 51.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124
1-[[8-ethyl-2,4-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 158932033
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
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-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
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
1-[[2-[[(2S)-butan-2-yl]amino]-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-2-methylpropan-2-ol
CID 134520204

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride (CID 134520392) is 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride is CCCNc1nc(NC)nc2c(NCC(C)(C)O)nc(NC)nc12.Cl.
What is the InChIKey of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is IFYALVXUSLRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N8O.ClH/c1-6-7-18-11-9-10(21-13(16-4)22-11)12(19-8-15(2,3)24)23-14(17-5)20-9;/h24H,6-8H2,1-5H3,(H2,16,18,21,22)(H2,17,19,20,23);1H.
What are the key properties of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride?
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 370.89 g/mol, XLogP of 1.93, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 134520392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).