5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine

C23H33N9 — CID 175562042

IUPAC5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(-c2nc3ccc(N4CCNCC4)cc3[nH]2)c(NC2CCCNC2)n1
InChIInChI=1S/C23H33N9/c1-2-7-26-23-27-15-18(21(31-23)28-16-4-3-8-25-14-16)22-29-19-6-5-17(13-20(19)30-22)32-11-9-24-10-12-32/h5-6,13,15-16,24-25H,2-4,7-12,14H2,1H3,(H,29,30)(H2,26,27,28,31)
InChIKeyIWAJNHPEKPRLDB-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.42
Rot. Bonds7

About 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine

5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 175562042) has the molecular formula C23H33N9 and a molecular weight of 435.58 g/mol. Its IUPAC name is 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine
PubChem CID175562042
Molecular FormulaC23H33N9
Molecular Weight435.58 g/mol
Exact Mass435.29
IUPAC Name5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(-c2nc3ccc(N4CCNCC4)cc3[nH]2)c(NC2CCCNC2)n1
InChIInChI=1S/C23H33N9/c1-2-7-26-23-27-15-18(21(31-23)28-16-4-3-8-25-14-16)22-29-19-6-5-17(13-20(19)30-22)32-11-9-24-10-12-32/h5-6,13,15-16,24-25H,2-4,7-12,14H2,1H3,(H,29,30)(H2,26,27,28,31)
InChIKeyIWAJNHPEKPRLDB-UHFFFAOYSA-N
XLogP2.42
TPSA105.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine
CID 171483029
2-N-cyclopropyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-N-[(3S)-piperidin-3-yl]pyrimidine-2,4-diamine
CID 171483015
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
6-chloro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-pyrrolidin-3-ylquinoline
CID 174439850
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
4-(cyclopentylamino)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidine-5-carbaldehyde
CID 10067549

Frequently Asked Questions

What is the IUPAC name of 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine (CID 175562042) is 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(-c2nc3ccc(N4CCNCC4)cc3[nH]2)c(NC2CCCNC2)n1.
What is the InChIKey of 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IWAJNHPEKPRLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9/c1-2-7-26-23-27-15-18(21(31-23)28-16-4-3-8-25-14-16)22-29-19-6-5-17(13-20(19)30-22)32-11-9-24-10-12-32/h5-6,13,15-16,24-25H,2-4,7-12,14H2,1H3,(H,29,30)(H2,26,27,28,31).
What are the key properties of 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine?
5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 435.58 g/mol, XLogP of 2.42, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 175562042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).