5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine

C19H24FN7 — CID 171483029

IUPAC5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(-c2nc3ccc(F)cc3[nH]2)c(N[C@H]2CCCNC2)n1
InChIInChI=1S/C19H24FN7/c1-2-7-22-19-23-11-14(17(27-19)24-13-4-3-8-21-10-13)18-25-15-6-5-12(20)9-16(15)26-18/h5-6,9,11,13,21H,2-4,7-8,10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m0/s1
InChIKeyRUZPLEXVRCKLPT-ZDUSSCGKSA-N
MW369.45 g/mol
LogP3.14
Rot. Bonds6

About 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine

5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 171483029) has the molecular formula C19H24FN7 and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID171483029
Molecular FormulaC19H24FN7
Molecular Weight369.45 g/mol
Exact Mass369.21
IUPAC Name5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(-c2nc3ccc(F)cc3[nH]2)c(N[C@H]2CCCNC2)n1
InChIInChI=1S/C19H24FN7/c1-2-7-22-19-23-11-14(17(27-19)24-13-4-3-8-21-10-13)18-25-15-6-5-12(20)9-16(15)26-18/h5-6,9,11,13,21H,2-4,7-8,10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m0/s1
InChIKeyRUZPLEXVRCKLPT-ZDUSSCGKSA-N
XLogP3.14
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-4-N-piperidin-3-yl-2-N-propylpyrimidine-2,4-diamine
CID 175562042
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
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
2-N-butyl-4-N-cyclohexyl-5-(5-piperidin-4-yl-2-pyridinyl)pyrimidine-2,4-diamine
CID 123945731
2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
CID 60977715
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine (CID 171483029) is 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(-c2nc3ccc(F)cc3[nH]2)c(N[C@H]2CCCNC2)n1.
What is the InChIKey of 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is RUZPLEXVRCKLPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24FN7/c1-2-7-22-19-23-11-14(17(27-19)24-13-4-3-8-21-10-13)18-25-15-6-5-12(20)9-16(15)26-18/h5-6,9,11,13,21H,2-4,7-8,10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m0/s1.
What are the key properties of 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine?
5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 369.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-benzimidazol-2-yl)-4-N-[(3S)-piperidin-3-yl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 171483029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).