N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine

C15H19FN4 — CID 80657850

IUPACN-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-4-17-14-9-11(2)18-15(19-14)10-20(3)13-7-5-12(16)6-8-13/h5-9H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyDQMYCFJGQQWRSM-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine

N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80657850) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
PubChem CID80657850
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-4-17-14-9-11(2)18-15(19-14)10-20(3)13-7-5-12(16)6-8-13/h5-9H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyDQMYCFJGQQWRSM-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658321
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
N-ethyl-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyrimidin-4-amine
CID 80657417
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]propanenitrile
CID 80657126
N-ethyl-2-(5-fluoro-2-pyridinyl)-6-methylpyrimidin-4-amine
CID 79718153
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]-2-methylpropanenitrile
CID 80658310
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine (CID 80657850) is N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is DQMYCFJGQQWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-17-14-9-11(2)18-15(19-14)10-20(3)13-7-5-12(16)6-8-13/h5-9H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine?
N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80657850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).