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

C18H22N8 — CID 124989953

IUPAC6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C18H22N8/c1-13-23-15(9-16(24-13)25-17-10-19-4-5-20-17)14-3-2-8-26(11-14)12-18-21-6-7-22-18/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,21,22)(H,20,23,24,25)/t14-/m0/s1
InChIKeyOYEZZTOKFLOIKA-AWEZNQCLSA-N
MW350.43 g/mol
LogP2.42
Rot. Bonds5

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

6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 124989953) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
PubChem CID124989953
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C18H22N8/c1-13-23-15(9-16(24-13)25-17-10-19-4-5-20-17)14-3-2-8-26(11-14)12-18-21-6-7-22-18/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,21,22)(H,20,23,24,25)/t14-/m0/s1
InChIKeyOYEZZTOKFLOIKA-AWEZNQCLSA-N
XLogP2.42
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-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-pyridin-2-ylpyrimidin-4-amine
CID 124961678
6-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342240
6-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 86342130
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124973900
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-2-methyl-N-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 125026546
N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820330
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
2-methyl-6-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-4-amine;hydrochloride
CID 171688192
2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820602
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111840
2-(methylamino)-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255904

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine (CID 124989953) is 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine is Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is OYEZZTOKFLOIKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-23-15(9-16(24-13)25-17-10-19-4-5-20-17)14-3-2-8-26(11-14)12-18-21-6-7-22-18/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,21,22)(H,20,23,24,25)/t14-/m0/s1.
What are the key properties of 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine?
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 124989953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).