6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine

C20H22N6 — CID 155983124

IUPAC6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1
InChIInChI=1S/C20H22N6/c1-2-5-16(6-3-1)15-26-11-7-17(8-12-26)18-13-21-14-19(24-18)25-20-22-9-4-10-23-20/h1-6,9-10,13-14,17H,7-8,11-12,15H2,(H,22,23,24,25)
InChIKeyDJVUIKNLLUHAOH-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.39
Rot. Bonds5

About 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine

6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 155983124) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID155983124
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1
InChIInChI=1S/C20H22N6/c1-2-5-16(6-3-1)15-26-11-7-17(8-12-26)18-13-21-14-19(24-18)25-20-22-9-4-10-23-20/h1-6,9-10,13-14,17H,7-8,11-12,15H2,(H,22,23,24,25)
InChIKeyDJVUIKNLLUHAOH-UHFFFAOYSA-N
XLogP3.39
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 110094104
6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 110094277
6-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251749
2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95821179
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
N-[6-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 110094212
1-(4-methylpiperidin-1-yl)-2-[4-[6-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094098
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192
(4R)-5,5-dimethyl-4-[4-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidine-1-carbonyl]oxolan-2-one
CID 124956293
6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251771
N-pyrimidin-2-yl-6-[(2R)-4-(quinolin-5-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 124996475

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine (CID 155983124) is 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine is c1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1.
What is the InChIKey of 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is DJVUIKNLLUHAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-5-16(6-3-1)15-26-11-7-17(8-12-26)18-13-21-14-19(24-18)25-20-22-9-4-10-23-20/h1-6,9-10,13-14,17H,7-8,11-12,15H2,(H,22,23,24,25).
What are the key properties of 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 155983124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).