N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine

C15H19N3O — CID 80859942

IUPACN-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-4-16-15-17-10-11(2)14(18-15)19-12(3)13-8-6-5-7-9-13/h5-10,12H,4H2,1-3H3,(H,16,17,18)
InChIKeyMILCIVDHEORHJA-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine

N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine (PubChem CID 80859942) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
PubChem CID80859942
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(OC(C)c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-4-16-15-17-10-11(2)14(18-15)19-12(3)13-8-6-5-7-9-13/h5-10,12H,4H2,1-3H3,(H,16,17,18)
InChIKeyMILCIVDHEORHJA-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
5-fluoro-N-methyl-4-(1-phenylethoxy)pyrimidin-2-amine
CID 80860288
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
N-ethyl-8-(1-phenylethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80844958
N-ethyl-5-methyl-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 102608905
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine (CID 80859942) is N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine is CCNc1ncc(C)c(OC(C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine?
The InChIKey is MILCIVDHEORHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-15-17-10-11(2)14(18-15)19-12(3)13-8-6-5-7-9-13/h5-10,12H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine?
N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(1-phenylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80859942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).