2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C20H21N5O2 — CID 44520967

IUPAC2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-18-9-5-4-8-14(18)15-11-16(25-20(21)24-15)19(26)23-12-17-13(2)7-6-10-22-17/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25)
InChIKeyPZIMWNVGBTWRON-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.76
Rot. Bonds6

About 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520967) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520967
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1
InChIInChI=1S/C20H21N5O2/c1-3-27-18-9-5-4-8-14(18)15-11-16(25-20(21)24-15)19(26)23-12-17-13(2)7-6-10-22-17/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25)
InChIKeyPZIMWNVGBTWRON-UHFFFAOYSA-N
XLogP2.76
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
Dora-22
CID 25126515
4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 25
CID 11426423
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
Pyrimidine-4-carboxamide, 27
CID 44520941

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520967) is 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is CCOc1ccccc1-c1cc(C(=O)NCc2ncccc2C)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PZIMWNVGBTWRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-3-27-18-9-5-4-8-14(18)15-11-16(25-20(21)24-15)19(26)23-12-17-13(2)7-6-10-22-17/h4-11H,3,12H2,1-2H3,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).