methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate

C10H14FN3O2 — CID 66286355

IUPACmethyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate
SMILESCCCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C10H14FN3O2/c1-4-5-12-8-7(11)6(2)13-9(14-8)10(15)16-3/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyMSFWQBHKYBDKNN-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.53
Rot. Bonds4

About methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate

methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate (PubChem CID 66286355) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate
PubChem CID66286355
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Namemethyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate
SMILESCCCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C10H14FN3O2/c1-4-5-12-8-7(11)6(2)13-9(14-8)10(15)16-3/h4-5H2,1-3H3,(H,12,13,14)
InChIKeyMSFWQBHKYBDKNN-UHFFFAOYSA-N
XLogP1.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.53
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 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate (CID 66286355) is methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate is CCCNc1nc(C(=O)OC)nc(C)c1F.
What is the InChIKey of methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate?
The InChIKey is MSFWQBHKYBDKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-4-5-12-8-7(11)6(2)13-9(14-8)10(15)16-3/h4-5H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate?
methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate has a molecular weight of 227.24 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-4-methyl-6-(propylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).