6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

C19H23N7 — CID 124961678

IUPAC6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C19H23N7/c1-14-23-17(9-19(24-14)25-18-6-2-3-7-21-18)15-5-4-8-26(11-15)12-16-10-20-13-22-16/h2-3,6-7,9-10,13,15H,4-5,8,11-12H2,1H3,(H,20,22)(H,21,23,24,25)/t15-/m0/s1
InChIKeyHDFRFVALZQLIQS-HNNXBMFYSA-N
MW349.44 g/mol
LogP3.03
Rot. Bonds5

About 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 124961678) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID124961678
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1
InChIInChI=1S/C19H23N7/c1-14-23-17(9-19(24-14)25-18-6-2-3-7-21-18)15-5-4-8-26(11-15)12-16-10-20-13-22-16/h2-3,6-7,9-10,13,15H,4-5,8,11-12H2,1H3,(H,20,22)(H,21,23,24,25)/t15-/m0/s1
InChIKeyHDFRFVALZQLIQS-HNNXBMFYSA-N
XLogP3.03
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
6-[(2S)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124979708
6-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110090926
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
N-[3-[(3R)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 124995485
4-[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-N-methylpyridin-2-amine
CID 110105773
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342240
2-[(3R)-3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 95844663
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342130
5-(1-ethylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110256139
2-methyl-6-[(2R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 125016121

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine (CID 124961678) is 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1.
What is the InChIKey of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is HDFRFVALZQLIQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N7/c1-14-23-17(9-19(24-14)25-18-6-2-3-7-21-18)15-5-4-8-26(11-15)12-16-10-20-13-22-16/h2-3,6-7,9-10,13,15H,4-5,8,11-12H2,1H3,(H,20,22)(H,21,23,24,25)/t15-/m0/s1.
What are the key properties of 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine?
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 124961678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).