4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine

C20H30N8 — CID 70685373

IUPAC4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESc1nc(NCC2CC2)c2nc(N3CCNCC3)nc(NC3CCCCC3)c2n1
InChIInChI=1S/C20H30N8/c1-2-4-15(5-3-1)25-19-16-17(18(24-13-23-16)22-12-14-6-7-14)26-20(27-19)28-10-8-21-9-11-28/h13-15,21H,1-12H2,(H,22,23,24)(H,25,26,27)
InChIKeyZUOFFGPYGSNWFH-UHFFFAOYSA-N
MW382.52 g/mol
LogP2.40
Rot. Bonds6

About 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine

4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine (PubChem CID 70685373) has the molecular formula C20H30N8 and a molecular weight of 382.52 g/mol. Its IUPAC name is 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
PubChem CID70685373
Molecular FormulaC20H30N8
Molecular Weight382.52 g/mol
Exact Mass382.26
IUPAC Name4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESc1nc(NCC2CC2)c2nc(N3CCNCC3)nc(NC3CCCCC3)c2n1
InChIInChI=1S/C20H30N8/c1-2-4-15(5-3-1)25-19-16-17(18(24-13-23-16)22-12-14-6-7-14)26-20(27-19)28-10-8-21-9-11-28/h13-15,21H,1-12H2,(H,22,23,24)(H,25,26,27)
InChIKeyZUOFFGPYGSNWFH-UHFFFAOYSA-N
XLogP2.40
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The IUPAC name of 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine (CID 70685373) is 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The canonical SMILES for 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine is c1nc(NCC2CC2)c2nc(N3CCNCC3)nc(NC3CCCCC3)c2n1.
What is the InChIKey of 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The InChIKey is ZUOFFGPYGSNWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8/c1-2-4-15(5-3-1)25-19-16-17(18(24-13-23-16)22-12-14-6-7-14)26-20(27-19)28-10-8-21-9-11-28/h13-15,21H,1-12H2,(H,22,23,24)(H,25,26,27).
What are the key properties of 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine has a molecular weight of 382.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-8-N-(cyclopropylmethyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 70685373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).