2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine

C17H22FN3 — CID 63485417

IUPAC2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-4-9-19-16-11-15(12(2)3)20-17(21-16)10-13-7-5-6-8-14(13)18/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20,21)
InChIKeyGOBCHBSOFRDWKI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.15
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine

2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63485417) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63485417
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-4-9-19-16-11-15(12(2)3)20-17(21-16)10-13-7-5-6-8-14(13)18/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20,21)
InChIKeyGOBCHBSOFRDWKI-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-[(2-bromophenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62830386
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
[2-[(2-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62252014
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 63485417) is 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is GOBCHBSOFRDWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-9-19-16-11-15(12(2)3)20-17(21-16)10-13-7-5-6-8-14(13)18/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).