2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine

C17H22FN3 — CID 63485042

IUPAC2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-3-7-14-12-16(19-10-4-2)21-17(20-14)11-13-8-5-6-9-15(13)18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWIPPEMUABBNSNN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.98
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine

2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine (PubChem CID 63485042) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
PubChem CID63485042
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1cc(CCC)nc(Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN3/c1-3-7-14-12-16(19-10-4-2)21-17(20-14)11-13-8-5-6-9-15(13)18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyWIPPEMUABBNSNN-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 63354267
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
2-chloro-N-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 82460814
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 62191091
2-[(3-chlorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63486808
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine (CID 63485042) is 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine is CCCNc1cc(CCC)nc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
The InChIKey is WIPPEMUABBNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-7-14-12-16(19-10-4-2)21-17(20-14)11-13-8-5-6-9-15(13)18/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine?
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 63485042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).