2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride

C14H23ClN8O — CID 134520383

About 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride

2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride (PubChem CID 134520383) has the molecular formula C14H23ClN8O and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride.

Molecular Properties

• Compound Name: 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
• PubChem CID: 134520383
• Molecular Formula: C14H23ClN8O
• Molecular Weight: 354.85 g/mol
• Exact Mass: 354.17
• IUPAC Name: 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
• SMILES: CNc1nc(N(C)C2CC2)c2nc(NC)nc(NCCO)c2n1.Cl
• InChI: InChI=1S/C14H22N8O.ClH/c1-15-13-19-10-9(11(20-13)17-6-7-23)18-14(16-2)21-12(10)22(3)8-4-5-8;/h8,23H,4-7H2,1-3H3,(H,16,18,21)(H2,15,17,19,20);1H
• InChIKey: YDJHGLXNSBKICX-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 111.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.85
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?

The IUPAC name of 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride (CID 134520383) is 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride.

What is the SMILES notation for 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?

The canonical SMILES for 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride is CNc1nc(N(C)C2CC2)c2nc(NC)nc(NCCO)c2n1.Cl.

What is the InChIKey of 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?

The InChIKey is YDJHGLXNSBKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O.ClH/c1-15-13-19-10-9(11(20-13)17-6-7-23)18-14(16-2)21-12(10)22(3)8-4-5-8;/h8,23H,4-7H2,1-3H3,(H,16,18,21)(H2,15,17,19,20);1H.

What are the key properties of 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride?

2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride is sourced from PubChem (CID 134520383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).