(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride

C16H29ClN8O — CID 134520316

About (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride

(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (PubChem CID 134520316) has the molecular formula C16H29ClN8O and a molecular weight of 384.92 g/mol. Its IUPAC name is (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

• Compound Name: (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
• PubChem CID: 134520316
• Molecular Formula: C16H29ClN8O
• Molecular Weight: 384.92 g/mol
• Exact Mass: 384.22
• IUPAC Name: (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
• SMILES: CCCNc1nc(NCC)c2nc(NC[C@@H](C)O)nc(NCC)c2n1.Cl
• InChI: InChI=1S/C16H28N8O.ClH/c1-5-8-19-15-21-11-12(13(23-15)17-6-2)22-16(20-9-10(4)25)24-14(11)18-7-3;/h10,25H,5-9H2,1-4H3,(H2,17,19,21,23)(H2,18,20,22,24);1H/t10-;/m1./s1
• InChIKey: NPCIAODPSYIPTC-HNCPQSOCSA-N
• XLogP: 2.32
• TPSA: 119.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.92
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?

The IUPAC name of (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride (CID 134520316) is (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride.

What is the SMILES notation for (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?

The canonical SMILES for (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is CCCNc1nc(NCC)c2nc(NC[C@@H](C)O)nc(NCC)c2n1.Cl.

What is the InChIKey of (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?

The InChIKey is NPCIAODPSYIPTC-HNCPQSOCSA-N. The full InChI is InChI=1S/C16H28N8O.ClH/c1-5-8-19-15-21-11-12(13(23-15)17-6-2)22-16(20-9-10(4)25)24-14(11)18-7-3;/h10,25H,5-9H2,1-4H3,(H2,17,19,21,23)(H2,18,20,22,24);1H/t10-;/m1./s1.

What are the key properties of (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride?

(2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 2.32, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[[4,8-bis(ethylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 134520316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).