4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C19H29N7 — CID 56744521

About 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56744521) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
• PubChem CID: 56744521
• Molecular Formula: C19H29N7
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.25
• IUPAC Name: 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
• SMILES: CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CCNC2
• InChI: InChI=1S/C19H29N7/c1-25(2)19-21-16-11-20-10-9-14(16)18(22-19)26(3)12-17-13-7-5-4-6-8-15(13)23-24-17/h20H,4-12H2,1-3H3,(H,23,24)
• InChIKey: XNKIFNOIJCBSHK-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 72.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56744521) is 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CCNC2.

What is the InChIKey of 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?

The InChIKey is XNKIFNOIJCBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-25(2)19-21-16-11-20-10-9-14(16)18(22-19)26(3)12-17-13-7-5-4-6-8-15(13)23-24-17/h20H,4-12H2,1-3H3,(H,23,24).

What are the key properties of 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?

4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-N,2-N,4-N-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56744521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).