methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate

C13H14N4O2 — CID 116865102

IUPACmethyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccncc2)nc1N(C)C
InChIInChI=1S/C13H14N4O2/c1-17(2)12-10(13(18)19-3)8-15-11(16-12)9-4-6-14-7-5-9/h4-8H,1-3H3
InChIKeyXDKOYVLASNUFGX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.39
Rot. Bonds3

About methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate

methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate (PubChem CID 116865102) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
PubChem CID116865102
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccncc2)nc1N(C)C
InChIInChI=1S/C13H14N4O2/c1-17(2)12-10(13(18)19-3)8-15-11(16-12)9-4-6-14-7-5-9/h4-8H,1-3H3
InChIKeyXDKOYVLASNUFGX-UHFFFAOYSA-N
XLogP1.39
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
CID 59517572
methyl 2-tert-butyl-4-(dimethylamino)pyrimidine-5-carboxylate
CID 116865092
prop-2-ynyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517613
methyl 4-chloro-2-(4-chlorophenyl)pyrimidine-5-carboxylate
CID 82169038
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
(3-chlorophenyl) 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
CID 59517790
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-2,2,2-trifluoroethanone
CID 59517575
methyl 2-(4-aminophenyl)-4-methylpyrimidine-5-carboxylate
CID 100802255

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate (CID 116865102) is methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate is COC(=O)c1cnc(-c2ccncc2)nc1N(C)C.
What is the InChIKey of methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate?
The InChIKey is XDKOYVLASNUFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(2)12-10(13(18)19-3)8-15-11(16-12)9-4-6-14-7-5-9/h4-8H,1-3H3.
What are the key properties of methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate?
methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethylamino)-2-pyridin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 116865102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).