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

C13H23ClN8O — CID 134520334

IUPAC2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
SMILESCNc1nc(NC)c2nc(NCC(C)(C)O)nc(NC)c2n1.Cl
InChIInChI=1S/C13H22N8O.ClH/c1-13(2,22)6-17-12-19-8-7(10(15-4)21-12)18-11(16-5)20-9(8)14-3;/h22H,6H2,1-5H3,(H2,14,16,18,20)(H2,15,17,19,21);1H
InChIKeyLWPZKYCPLGYGCB-UHFFFAOYSA-N
MW342.84 g/mol
LogP1.15
Rot. Bonds6

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

2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (PubChem CID 134520334) has the molecular formula C13H23ClN8O and a molecular weight of 342.84 g/mol. Its IUPAC name is 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
PubChem CID134520334
Molecular FormulaC13H23ClN8O
Molecular Weight342.84 g/mol
Exact Mass342.17
IUPAC Name2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
SMILESCNc1nc(NC)c2nc(NCC(C)(C)O)nc(NC)c2n1.Cl
InChIInChI=1S/C13H22N8O.ClH/c1-13(2,22)6-17-12-19-8-7(10(15-4)21-12)18-11(16-5)20-9(8)14-3;/h22H,6H2,1-5H3,(H2,14,16,18,20)(H2,15,17,19,21);1H
InChIKeyLWPZKYCPLGYGCB-UHFFFAOYSA-N
XLogP1.15
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 51.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (CID 134520334) is 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is CNc1nc(NC)c2nc(NCC(C)(C)O)nc(NC)c2n1.Cl.
What is the InChIKey of 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
The InChIKey is LWPZKYCPLGYGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8O.ClH/c1-13(2,22)6-17-12-19-8-7(10(15-4)21-12)18-11(16-5)20-9(8)14-3;/h22H,6H2,1-5H3,(H2,14,16,18,20)(H2,15,17,19,21);1H.
What are the key properties of 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?
2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 342.84 g/mol, XLogP of 1.15, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4,6,8-tris(methylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 134520334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).