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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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).