2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid

C13H15N3O2S — CID 83182104

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(Cc1cccs1)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O2S/c1-3-16(8-10-5-4-6-19-10)13-14-7-11(12(17)18)9(2)15-13/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyCGAPDHMSYNTLRR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83182104) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83182104
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(Cc1cccs1)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C13H15N3O2S/c1-3-16(8-10-5-4-6-19-10)13-14-7-11(12(17)18)9(2)15-13/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyCGAPDHMSYNTLRR-UHFFFAOYSA-N
XLogP2.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133468172
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
5-[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 122054307
4-propyl-2-(thiophen-2-ylmethyl)pyrimidine-5-carboxylic acid
CID 55079363
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 83182104) is 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid is CCN(Cc1cccs1)c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is CGAPDHMSYNTLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-16(8-10-5-4-6-19-10)13-14-7-11(12(17)18)9(2)15-13/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).