ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

C24H21N5O2 — CID 122401115

IUPACethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N(c2ccccn2)c2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C24H21N5O2/c1-3-31-23(30)21-17(2)27-24(28-22(21)18-11-5-4-6-12-18)29(19-13-7-9-15-25-19)20-14-8-10-16-26-20/h4-16H,3H2,1-2H3
InChIKeyWPKFQNCQKJNDKV-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.89
Rot. Bonds6

About ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 122401115) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID122401115
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Nameethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N(c2ccccn2)c2ccccn2)nc1-c1ccccc1
InChIInChI=1S/C24H21N5O2/c1-3-31-23(30)21-17(2)27-24(28-22(21)18-11-5-4-6-12-18)29(19-13-7-9-15-25-19)20-14-8-10-16-26-20/h4-16H,3H2,1-2H3
InChIKeyWPKFQNCQKJNDKV-UHFFFAOYSA-N
XLogP4.89
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 2-(3-hydroxypropylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306075
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 122401115) is ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N(c2ccccn2)c2ccccn2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is WPKFQNCQKJNDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-3-31-23(30)21-17(2)27-24(28-22(21)18-11-5-4-6-12-18)29(19-13-7-9-15-25-19)20-14-8-10-16-26-20/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 411.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 122401115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).