3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride

C15H26ClN7O — CID 134520531

IUPAC3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
SMILESCCCNc1nc(N(C)C)c2nc(NC(C)C(C)O)ncc2n1.Cl
InChIInChI=1S/C15H25N7O.ClH/c1-6-7-16-14-19-11-8-17-15(18-9(2)10(3)23)20-12(11)13(21-14)22(4)5;/h8-10,23H,6-7H2,1-5H3,(H,16,19,21)(H,17,18,20);1H
InChIKeyCNJDYSPOVXBEOK-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.91
Rot. Bonds7

About 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride

3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride (PubChem CID 134520531) has the molecular formula C15H26ClN7O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
PubChem CID134520531
Molecular FormulaC15H26ClN7O
Molecular Weight355.87 g/mol
Exact Mass355.19
IUPAC Name3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride
SMILESCCCNc1nc(N(C)C)c2nc(NC(C)C(C)O)ncc2n1.Cl
InChIInChI=1S/C15H25N7O.ClH/c1-6-7-16-14-19-11-8-17-15(18-9(2)10(3)23)20-12(11)13(21-14)22(4)5;/h8-10,23H,6-7H2,1-5H3,(H,16,19,21)(H,17,18,20);1H
InChIKeyCNJDYSPOVXBEOK-UHFFFAOYSA-N
XLogP1.91
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride with MolForge

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Related Compounds

1-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 134520296
1-[[4-(dimethylamino)-2-(ethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol
CID 134520106
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 134520169
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
3-[[2-chloro-4-(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 134520399
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
[2-(propylamino)pyrimidin-5-yl]boronic acid
CID 166595107
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride?
The IUPAC name of 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride (CID 134520531) is 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride?
The canonical SMILES for 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride is CCCNc1nc(N(C)C)c2nc(NC(C)C(C)O)ncc2n1.Cl.
What is the InChIKey of 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride?
The InChIKey is CNJDYSPOVXBEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O.ClH/c1-6-7-16-14-19-11-8-17-15(18-9(2)10(3)23)20-12(11)13(21-14)22(4)5;/h8-10,23H,6-7H2,1-5H3,(H,16,19,21)(H,17,18,20);1H.
What are the key properties of 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride?
3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]butan-2-ol;hydrochloride is sourced from PubChem (CID 134520531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).