6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H16FN3 — CID 80975741

IUPAC6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXRKCHJZCQZRYKE-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.30
Rot. Bonds2

About 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80975741) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80975741
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyXRKCHJZCQZRYKE-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977446
5-methyl-6-(3-nitrophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80974718
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
6-(4-bromophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977211
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80976141
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80975741) is 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XRKCHJZCQZRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-8(2)14-17-12(9(3)13(16)18-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80975741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).