methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate

C9H12FN3O2 — CID 66286159

IUPACmethyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate
SMILESCCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C9H12FN3O2/c1-4-11-7-6(10)5(2)12-8(13-7)9(14)15-3/h4H2,1-3H3,(H,11,12,13)
InChIKeyQWLNLRVCKBELOY-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.14
Rot. Bonds3

About methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate

methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate (PubChem CID 66286159) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate
PubChem CID66286159
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Namemethyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate
SMILESCCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C9H12FN3O2/c1-4-11-7-6(10)5(2)12-8(13-7)9(14)15-3/h4H2,1-3H3,(H,11,12,13)
InChIKeyQWLNLRVCKBELOY-UHFFFAOYSA-N
XLogP1.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[6-(difluoromethyl)pyrimidin-4-yl]amino}acetate
CID 126850038
Methyl 4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidine-2-carboxylate
CID 132207411
Methyl 5-fluoro-4-methylpyrimidine-2-carboxylate
CID 176259842
N-(4-amino-6-methyl-2-pyrimidyl)-glycine ethyl ester
CID 129717466
N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 62406391
2-(1-ethoxyethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998195
2-(ethoxymethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998196
N-ethyl-5-fluoro-2-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 65998399
2-(1-ethoxyethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998608
2-(ethoxymethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998609
2-(1-ethoxyethyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65998616
2-(ethoxymethyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65998617

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate (CID 66286159) is methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate is CCNc1nc(C(=O)OC)nc(C)c1F.
What is the InChIKey of methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate?
The InChIKey is QWLNLRVCKBELOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-4-11-7-6(10)5(2)12-8(13-7)9(14)15-3/h4H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate?
methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate has a molecular weight of 213.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-5-fluoro-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).