ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate

C15H17N3O2 — CID 667203

IUPACethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2/c1-3-20-14(19)13-10-17-15(18-11(13)2)16-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyTZBQVZUKPBMPCA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate

ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate (PubChem CID 667203) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
PubChem CID667203
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCc2ccccc2)nc1C
InChIInChI=1S/C15H17N3O2/c1-3-20-14(19)13-10-17-15(18-11(13)2)16-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyTZBQVZUKPBMPCA-UHFFFAOYSA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185
ethyl 4-methyl-2-(2-phenylethylcarbamothioylamino)pyrimidine-5-carboxylate
CID 100564365
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 114700911
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylate
CID 126835547
ethyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-5-carboxylate
CID 103943012
3-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 83180305
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate (CID 667203) is ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate?
The InChIKey is TZBQVZUKPBMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-14(19)13-10-17-15(18-11(13)2)16-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate has a molecular weight of 271.32 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 ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 667203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).