5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine

C19H26N4O — CID 56768469

IUPAC5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(OC)cc2)nc1NC1CCCNC1
InChIInChI=1S/C19H26N4O/c1-4-17-13(2)21-18(14-7-9-16(24-3)10-8-14)23-19(17)22-15-6-5-11-20-12-15/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,21,22,23)
InChIKeyPMTSFKSPOKYYEM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.19
Rot. Bonds5

About 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine

5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56768469) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID56768469
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(OC)cc2)nc1NC1CCCNC1
InChIInChI=1S/C19H26N4O/c1-4-17-13(2)21-18(14-7-9-16(24-3)10-8-14)23-19(17)22-15-6-5-11-20-12-15/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,21,22,23)
InChIKeyPMTSFKSPOKYYEM-UHFFFAOYSA-N
XLogP3.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-5-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66332962
2-(4-methoxyphenyl)-5-(piperidin-3-ylmethoxy)pyrimidine
CID 117230974
5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768154
2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine
CID 115069907
2-(4-cyclopropylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79980915
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
[2-(4-cyclopropylphenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 79980615
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
2-phenyl-N-piperidin-3-yl-6-propylpyrimidin-4-amine
CID 56768428

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine (CID 56768469) is 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine is CCc1c(C)nc(-c2ccc(OC)cc2)nc1NC1CCCNC1.
What is the InChIKey of 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is PMTSFKSPOKYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-17-13(2)21-18(14-7-9-16(24-3)10-8-14)23-19(17)22-15-6-5-11-20-12-15/h7-10,15,20H,4-6,11-12H2,1-3H3,(H,21,22,23).
What are the key properties of 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine?
5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methoxyphenyl)-6-methyl-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56768469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).