4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine

C18H22FN3 — CID 89000283

IUPAC4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(C)N(C)c1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1
InChIInChI=1S/C18H22FN3/c1-11(2)16-13(5)17(14-7-9-15(19)10-8-14)21-18(20-16)22(6)12(3)4/h7-11H,3H2,1-2,4-6H3
InChIKeyLUUDDXSYYPAENV-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.68
Rot. Bonds4

About 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine

4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine (PubChem CID 89000283) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine
PubChem CID89000283
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine
SMILESC=C(C)N(C)c1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1
InChIInChI=1S/C18H22FN3/c1-11(2)16-13(5)17(14-7-9-15(19)10-8-14)21-18(20-16)22(6)12(3)4/h7-11H,3H2,1-2,4-6H3
InChIKeyLUUDDXSYYPAENV-UHFFFAOYSA-N
XLogP4.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine (CID 89000283) is 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine is C=C(C)N(C)c1nc(-c2ccc(F)cc2)c(C)c(C(C)C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine?
The InChIKey is LUUDDXSYYPAENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-11(2)16-13(5)17(14-7-9-15(19)10-8-14)21-18(20-16)22(6)12(3)4/h7-11H,3H2,1-2,4-6H3.
What are the key properties of 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine?
4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine has a molecular weight of 299.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N,5-dimethyl-6-propan-2-yl-N-prop-1-en-2-ylpyrimidin-2-amine is sourced from PubChem (CID 89000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).