ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate

C14H16N4O2 — CID 110178694

IUPACethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C14H16N4O2/c1-3-20-14(19)18-12-8-15-13(16-9-12)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMOFYSGBITQPAAI-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.10
Rot. Bonds4

About ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate

ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate (PubChem CID 110178694) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
PubChem CID110178694
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1cnc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C14H16N4O2/c1-3-20-14(19)18-12-8-15-13(16-9-12)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMOFYSGBITQPAAI-UHFFFAOYSA-N
XLogP3.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[(6-anilino-3-pyridinyl)amino]pyrimidin-5-yl]carbamate
CID 110178368
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
ethyl 2-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109265855
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
ethyl N-[4-[(5-chloropyrimidin-2-yl)amino]-3-fluorophenyl]carbamate
CID 155161968
ethyl N-[3-[[5-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]pyrimidin-2-yl]amino]phenyl]carbamate
CID 86728007
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate?
The IUPAC name of ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate (CID 110178694) is ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate is CCOC(=O)Nc1cnc(Nc2ccc(C)cc2)nc1.
What is the InChIKey of ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate?
The InChIKey is MOFYSGBITQPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-20-14(19)18-12-8-15-13(16-9-12)17-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate?
ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate has a molecular weight of 272.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate is sourced from PubChem (CID 110178694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).