2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide

C22H24N4O2 — CID 54853701

IUPAC2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-24-21(27)19-15(2)25-22(23)26-20(19)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyREEKBVYXZCRNMJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.41
Rot. Bonds7

About 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide

2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54853701) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54853701
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-3-24-21(27)19-15(2)25-22(23)26-20(19)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyREEKBVYXZCRNMJ-UHFFFAOYSA-N
XLogP3.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide (CID 54853701) is 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1-c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is REEKBVYXZCRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-24-21(27)19-15(2)25-22(23)26-20(19)17-9-11-18(12-10-17)28-14-13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).