N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine

C22H25N5 — CID 124984466

IUPACN-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C22H25N5/c1-2-16-7-3-4-10-19(16)25-21-13-20(17-8-5-11-23-14-17)26-22(27-21)18-9-6-12-24-15-18/h3-5,7-8,10-11,13-14,18,24H,2,6,9,12,15H2,1H3,(H,25,26,27)/t18-/m1/s1
InChIKeyNKYYBJLUNAGDTO-GOSISDBHSA-N
MW359.48 g/mol
LogP4.31
Rot. Bonds5

About N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine

N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 124984466) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID124984466
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCCNC2)n1
InChIInChI=1S/C22H25N5/c1-2-16-7-3-4-10-19(16)25-21-13-20(17-8-5-11-23-14-17)26-22(27-21)18-9-6-12-24-15-18/h3-5,7-8,10-11,13-14,18,24H,2,6,9,12,15H2,1H3,(H,25,26,27)/t18-/m1/s1
InChIKeyNKYYBJLUNAGDTO-GOSISDBHSA-N
XLogP4.31
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
4-N-(2-ethylphenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937314
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
N-piperidin-3-yl-2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56768481
N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
CID 110085428
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
CID 110240231
N-piperidin-3-yl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 56768486
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 110240248
1-[3-[4-(3,5-dichloroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 167370326
6-methyl-2-[(3R)-piperidin-3-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95816713
1-N,1-dimethyl-3-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-3,5-diene-1,3-diamine
CID 175785622
4-N,4-dimethyl-1-N-(6-phenyl-2-piperidin-3-ylpyrimidin-4-yl)cyclohexa-1,5-diene-1,4-diamine
CID 150651789

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine (CID 124984466) is N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine is CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCCNC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is NKYYBJLUNAGDTO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5/c1-2-16-7-3-4-10-19(16)25-21-13-20(17-8-5-11-23-14-17)26-22(27-21)18-9-6-12-24-15-18/h3-5,7-8,10-11,13-14,18,24H,2,6,9,12,15H2,1H3,(H,25,26,27)/t18-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine?
N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(3R)-piperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 124984466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).