N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

C14H15FN4O2 — CID 66000791

IUPACN-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cc([N+](=O)[O-])ccc2C)nc(C)c1F
InChIInChI=1S/C14H15FN4O2/c1-4-16-14-12(15)9(3)17-13(18-14)11-7-10(19(20)21)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyVHHQUSCNJCAPPR-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.24
Rot. Bonds4

About N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (PubChem CID 66000791) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
PubChem CID66000791
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cc([N+](=O)[O-])ccc2C)nc(C)c1F
InChIInChI=1S/C14H15FN4O2/c1-4-16-14-12(15)9(3)17-13(18-14)11-7-10(19(20)21)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyVHHQUSCNJCAPPR-UHFFFAOYSA-N
XLogP3.24
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 62192376
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
CID 62190372
N-ethyl-5-fluoro-6-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66000022
3-(2-methyl-5-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55096432
5-bromo-N-ethyl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 66305276
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
N,4-diethyl-5-(2-methyl-5-nitrophenyl)-1,2,4-triazol-3-amine
CID 115945438
(1S)-1-[4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 103431949
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
4-chloro-6-(methoxymethyl)-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62319606
[2-(2-methyl-5-nitrophenyl)pyrimidin-4-yl]hydrazine
CID 62250526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (CID 66000791) is N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is CCNc1nc(-c2cc([N+](=O)[O-])ccc2C)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The InChIKey is VHHQUSCNJCAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-4-16-14-12(15)9(3)17-13(18-14)11-7-10(19(20)21)6-5-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66000791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).