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

C16H29ClN8O — CID 134520338

IUPAC1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(N(C)CC(C)(C)O)nc(NC)nc12.Cl
InChIInChI=1S/C16H28N8O.ClH/c1-7-8-19-12-10-11(21-14(17-4)22-12)13(23-15(18-5)20-10)24(6)9-16(2,3)25;/h25H,7-9H2,1-6H3,(H,18,20,23)(H2,17,19,21,22);1H
InChIKeyYWRVBDBQXPADFQ-UHFFFAOYSA-N
MW384.92 g/mol
LogP1.95
Rot. Bonds8

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

1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride (PubChem CID 134520338) has the molecular formula C16H29ClN8O and a molecular weight of 384.92 g/mol. Its IUPAC name is 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
PubChem CID134520338
Molecular FormulaC16H29ClN8O
Molecular Weight384.92 g/mol
Exact Mass384.22
IUPAC Name1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(N(C)CC(C)(C)O)nc(NC)nc12.Cl
InChIInChI=1S/C16H28N8O.ClH/c1-7-8-19-12-10-11(21-14(17-4)22-12)13(23-15(18-5)20-10)24(6)9-16(2,3)25;/h25H,7-9H2,1-6H3,(H,18,20,23)(H2,17,19,21,22);1H
InChIKeyYWRVBDBQXPADFQ-UHFFFAOYSA-N
XLogP1.95
TPSA111.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
CID 134520331
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124
2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520334
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
2-methyl-1-[methyl-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 103328875
(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride (CID 134520338) is 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-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]-methylamino]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride is CCCNc1nc(NC)nc2c(N(C)CC(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]-methylamino]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is YWRVBDBQXPADFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O.ClH/c1-7-8-19-12-10-11(21-14(17-4)22-12)13(23-15(18-5)20-10)24(6)9-16(2,3)25;/h25H,7-9H2,1-6H3,(H,18,20,23)(H2,17,19,21,22);1H.
What are the key properties of 1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride?
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 1.95, 8 rotatable bonds, 4 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]-methylamino]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 134520338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).