N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

C22H25N5 — CID 95835954

IUPACN-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C22H25N5/c1-17-7-2-3-8-18(17)15-27-14-5-9-19(16-27)20-10-4-11-21(25-20)26-22-23-12-6-13-24-22/h2-4,6-8,10-13,19H,5,9,14-16H2,1H3,(H,23,24,25,26)/t19-/m0/s1
InChIKeyBHRMZRRWBZAQCX-IBGZPJMESA-N
MW359.48 g/mol
LogP4.30
Rot. Bonds5

About N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 95835954) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID95835954
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1
InChIInChI=1S/C22H25N5/c1-17-7-2-3-8-18(17)15-27-14-5-9-19(16-27)20-10-4-11-21(25-20)26-22-23-12-6-13-24-22/h2-4,6-8,10-13,19H,5,9,14-16H2,1H3,(H,23,24,25,26)/t19-/m0/s1
InChIKeyBHRMZRRWBZAQCX-IBGZPJMESA-N
XLogP4.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515
6-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835978
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
6-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 124948303
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127
N-[6-[(3R)-1-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95836059
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
N-[6-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110269836
2-[N-methyl-4-[[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methyl]anilino]ethanol
CID 110265525
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 95835954) is N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1.
What is the InChIKey of N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BHRMZRRWBZAQCX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N5/c1-17-7-2-3-8-18(17)15-27-14-5-9-19(16-27)20-10-4-11-21(25-20)26-22-23-12-6-13-24-22/h2-4,6-8,10-13,19H,5,9,14-16H2,1H3,(H,23,24,25,26)/t19-/m0/s1.
What are the key properties of N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 95835954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).