N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine

C17H21N7 — CID 67906747

IUPACN-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
SMILESc1cnc(NCCN2CCC(Nc3nc4ccccc4[nH]3)C2)nc1
InChIInChI=1S/C17H21N7/c1-2-5-15-14(4-1)22-17(23-15)21-13-6-10-24(12-13)11-9-20-16-18-7-3-8-19-16/h1-5,7-8,13H,6,9-12H2,(H,18,19,20)(H2,21,22,23)
InChIKeyOWALEVQPKUXJGH-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.95
Rot. Bonds6

About N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine

N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine (PubChem CID 67906747) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
PubChem CID67906747
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine
SMILESc1cnc(NCCN2CCC(Nc3nc4ccccc4[nH]3)C2)nc1
InChIInChI=1S/C17H21N7/c1-2-5-15-14(4-1)22-17(23-15)21-13-6-10-24(12-13)11-9-20-16-18-7-3-8-19-16/h1-5,7-8,13H,6,9-12H2,(H,18,19,20)(H2,21,22,23)
InChIKeyOWALEVQPKUXJGH-UHFFFAOYSA-N
XLogP1.95
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine (CID 67906747) is N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine is c1cnc(NCCN2CCC(Nc3nc4ccccc4[nH]3)C2)nc1.
What is the InChIKey of N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
The InChIKey is OWALEVQPKUXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-2-5-15-14(4-1)22-17(23-15)21-13-6-10-24(12-13)11-9-20-16-18-7-3-8-19-16/h1-5,7-8,13H,6,9-12H2,(H,18,19,20)(H2,21,22,23).
What are the key properties of N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine?
N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 67906747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).