N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine

C12H13FN4O — CID 114270502

IUPACN-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(OC)c2F)ncn1
InChIInChI=1S/C12H13FN4O/c1-3-14-10-6-9(16-7-17-10)8-4-5-15-12(18-2)11(8)13/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyLLSBMDROQSAFNF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine

N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine (PubChem CID 114270502) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
PubChem CID114270502
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2ccnc(OC)c2F)ncn1
InChIInChI=1S/C12H13FN4O/c1-3-14-10-6-9(16-7-17-10)8-4-5-15-12(18-2)11(8)13/h4-7H,3H2,1-2H3,(H,14,16,17)
InChIKeyLLSBMDROQSAFNF-UHFFFAOYSA-N
XLogP2.12
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
3-[6-(ethylamino)pyrimidin-4-yl]-4-methoxybenzonitrile
CID 106951523
N-ethyl-6-quinolin-5-ylpyrimidin-4-amine
CID 81221755
N-ethyl-6-isoquinolin-8-ylpyrimidin-4-amine
CID 103144332
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80813222
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
4-(3,5-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133090712
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine (CID 114270502) is N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine is CCNc1cc(-c2ccnc(OC)c2F)ncn1.
What is the InChIKey of N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is LLSBMDROQSAFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-3-14-10-6-9(16-7-17-10)8-4-5-15-12(18-2)11(8)13/h4-7H,3H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine?
N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 248.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-2-methoxy-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 114270502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).