5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine

C18H24N4O — CID 72890235

IUPAC5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21)
InChIKeyCXWXKFGEEZBOFG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.76
Rot. Bonds4

About 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine

5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 72890235) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID72890235
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1
InChIInChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21)
InChIKeyCXWXKFGEEZBOFG-UHFFFAOYSA-N
XLogP2.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
Benzyl 4-[(pyrimidin-4-ylamino)methyl]piperidine-1-carboxylate
CID 10268255
5-[(3,5-Diethyl-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12655202
5-[[4-Methoxy-3,5-di(propan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 12655203
5-(4-Methoxy-3,5-dipropyl-benzyl)-pyrimidine-2,4-diamine
CID 13112759
((+/-)-1-Phenethyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 16109389
2-(3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)pyridin-4-amine
CID 44573334
[2-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 89600723
5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232915
N-benzyl-5-(2-methoxyphenyl)pyrimidin-4-amine
CID 3233050

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine (CID 72890235) is 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine is CCc1cnc(N)nc1N1CCC(OC)(c2ccccc2)CC1.
What is the InChIKey of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is CXWXKFGEEZBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-14-13-20-17(19)21-16(14)22-11-9-18(23-2,10-12-22)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine?
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 72890235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).