1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol

C16H27N7O — CID 134520331

IUPAC1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCCNc1nc(N(C)C)nc2c(N(C)CC(C)(C)O)ncnc12
InChIInChI=1S/C16H27N7O/c1-7-8-17-13-11-12(20-15(21-13)22(4)5)14(19-10-18-11)23(6)9-16(2,3)24/h10,24H,7-9H2,1-6H3,(H,17,20,21)
InChIKeyJXSNJZXOJBPWHG-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.51
Rot. Bonds7

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

1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 134520331) has the molecular formula C16H27N7O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID134520331
Molecular FormulaC16H27N7O
Molecular Weight333.44 g/mol
Exact Mass333.23
IUPAC Name1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCCNc1nc(N(C)C)nc2c(N(C)CC(C)(C)O)ncnc12
InChIInChI=1S/C16H27N7O/c1-7-8-17-13-11-12(20-15(21-13)22(4)5)14(19-10-18-11)23(6)9-16(2,3)24/h10,24H,7-9H2,1-6H3,(H,17,20,21)
InChIKeyJXSNJZXOJBPWHG-UHFFFAOYSA-N
XLogP1.51
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372
1-[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]pyrrolidin-3-ol
CID 134520190
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
1-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 134520296
(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 134520116
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520388
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
CID 70232922
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80839941
2-methyl-1-[methyl-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 103328875

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol (CID 134520331) is 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol is CCCNc1nc(N(C)C)nc2c(N(C)CC(C)(C)O)ncnc12.
What is the InChIKey of 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is JXSNJZXOJBPWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O/c1-7-8-17-13-11-12(20-15(21-13)22(4)5)14(19-10-18-11)23(6)9-16(2,3)24/h10,24H,7-9H2,1-6H3,(H,17,20,21).
What are the key properties of 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol?
1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 333.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 134520331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).