5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine

C23H27N5 — CID 95813876

IUPAC5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C23H27N5/c1-17-12-20(21-14-25-23(24)26-15-21)13-22(27-17)19-8-5-10-28(16-19)11-9-18-6-3-2-4-7-18/h2-4,6-7,12-15,19H,5,8-11,16H2,1H3,(H2,24,25,26)/t19-/m0/s1
InChIKeyDWCMGPDPUKQWQJ-IBGZPJMESA-N
MW373.50 g/mol
LogP3.85
Rot. Bonds5

About 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine

5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine (PubChem CID 95813876) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
PubChem CID95813876
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(CCc3ccccc3)C2)n1
InChIInChI=1S/C23H27N5/c1-17-12-20(21-14-25-23(24)26-15-21)13-22(27-17)19-8-5-10-28(16-19)11-9-18-6-3-2-4-7-18/h2-4,6-7,12-15,19H,5,8-11,16H2,1H3,(H2,24,25,26)/t19-/m0/s1
InChIKeyDWCMGPDPUKQWQJ-IBGZPJMESA-N
XLogP3.85
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
5-(3-fluorophenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248785
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
1-[4-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 92618153
5-[2-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252522
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
(3R)-3-(5-methyl-1H-imidazol-2-yl)-1-(2-phenylethyl)piperidine
CID 125014452
2-(2-methylimidazol-1-yl)-6-[1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 110266022

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine (CID 95813876) is 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(CCc3ccccc3)C2)n1.
What is the InChIKey of 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is DWCMGPDPUKQWQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N5/c1-17-12-20(21-14-25-23(24)26-15-21)13-22(27-17)19-8-5-10-28(16-19)11-9-18-6-3-2-4-7-18/h2-4,6-7,12-15,19H,5,8-11,16H2,1H3,(H2,24,25,26)/t19-/m0/s1.
What are the key properties of 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine?
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 95813876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).