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

C14H15FIN3 — CID 66300915

IUPAC2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cccc(F)c2)nc(N)c1I
InChIInChI=1S/C14H15FIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
InChIKeyNKEZVHQCXCPYSQ-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.52
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300915) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300915
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cccc(F)c2)nc(N)c1I
InChIInChI=1S/C14H15FIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
InChIKeyNKEZVHQCXCPYSQ-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301314
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300719
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
2-[(3,5-difluorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-[4,6-diethyl-2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]ethanamine
CID 79219136
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305379
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66300915) is 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2cccc(F)c2)nc(N)c1I.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is NKEZVHQCXCPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 371.20 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).