2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide

C16H20N4O2 — CID 54853940

IUPAC2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCOc1ccc(-c2cc(C(=O)NCC)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-3-9-22-12-7-5-11(6-8-12)13-10-14(15(21)18-4-2)20-16(17)19-13/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeySBFSEDBMKRWMBI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide

2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 54853940) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
PubChem CID54853940
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
SMILESCCCOc1ccc(-c2cc(C(=O)NCC)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-3-9-22-12-7-5-11(6-8-12)13-10-14(15(21)18-4-2)20-16(17)19-13/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20)
InChIKeySBFSEDBMKRWMBI-UHFFFAOYSA-N
XLogP2.26
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-pentoxyphenyl)pyrimidine-4-carboxamide
CID 54852320
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-N,N-dimethyl-6-(4-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852281
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
5-amino-N,1-dimethyl-3-(4-propoxyphenyl)pyrazole-4-carboxamide
CID 144571675
ethyl 2-amino-6-(3-hexoxyphenyl)pyrimidine-4-carboxylate
CID 54850308
N-ethyl-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 174990396
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide (CID 54853940) is 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide is CCCOc1ccc(-c2cc(C(=O)NCC)nc(N)n2)cc1.
What is the InChIKey of 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is SBFSEDBMKRWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-9-22-12-7-5-11(6-8-12)13-10-14(15(21)18-4-2)20-16(17)19-13/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide?
2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 54853940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).