N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide

C19H25N3O2 — CID 95147304

IUPACN-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C)nc1C)[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O2/c1-6-22(19(23)18-12-20-15(4)21-14(18)3)13(2)11-16-7-9-17(24-5)10-8-16/h7-10,12-13H,6,11H2,1-5H3/t13-/m0/s1
InChIKeyDUTIECNBPRWXIN-ZDUSSCGKSA-N
MW327.43 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide

N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 95147304) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID95147304
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C)nc1C)[C@@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H25N3O2/c1-6-22(19(23)18-12-20-15(4)21-14(18)3)13(2)11-16-7-9-17(24-5)10-8-16/h7-10,12-13H,6,11H2,1-5H3/t13-/m0/s1
InChIKeyDUTIECNBPRWXIN-ZDUSSCGKSA-N
XLogP3.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide (CID 95147304) is N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(C)nc1C)[C@@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is DUTIECNBPRWXIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-6-22(19(23)18-12-20-15(4)21-14(18)3)13(2)11-16-7-9-17(24-5)10-8-16/h7-10,12-13H,6,11H2,1-5H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide?
N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 95147304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).