6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine

C16H20FN3O — CID 66325636

IUPAC6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H20FN3O/c1-4-21-16-12(3)15(18-10-19-16)20-11(2)9-13-5-7-14(17)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXXTRANQRZQQDQZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.37
Rot. Bonds6

About 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine

6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine (PubChem CID 66325636) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
PubChem CID66325636
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C16H20FN3O/c1-4-21-16-12(3)15(18-10-19-16)20-11(2)9-13-5-7-14(17)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20)
InChIKeyXXTRANQRZQQDQZ-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 60966377
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327004
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine (CID 66325636) is 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine is CCOc1ncnc(NC(C)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine?
The InChIKey is XXTRANQRZQQDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-21-16-12(3)15(18-10-19-16)20-11(2)9-13-5-7-14(17)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine?
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66325636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).