6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

C18H21N7 — CID 110255706

IUPAC6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H21N7/c1-13-22-14(11-17(23-13)24-16-6-2-3-7-19-16)15-5-4-10-25(15)12-18-20-8-9-21-18/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,20,21)(H,19,22,23,24)
InChIKeyFRHOIOQCWBPBGQ-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.98
Rot. Bonds5

About 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 110255706) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID110255706
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H21N7/c1-13-22-14(11-17(23-13)24-16-6-2-3-7-19-16)15-5-4-10-25(15)12-18-20-8-9-21-18/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,20,21)(H,19,22,23,24)
InChIKeyFRHOIOQCWBPBGQ-UHFFFAOYSA-N
XLogP2.98
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (CID 110255706) is 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc(C2CCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is FRHOIOQCWBPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-13-22-14(11-17(23-13)24-16-6-2-3-7-19-16)15-5-4-10-25(15)12-18-20-8-9-21-18/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,20,21)(H,19,22,23,24).
What are the key properties of 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 335.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110255706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).