N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine

C17H22FN3 — CID 64769555

IUPACN-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C(C)(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3/c1-4-9-19-10-13-11-20-16(21-12-13)17(2,3)14-5-7-15(18)8-6-14/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyQIQQPWKTAXJHSR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.44
Rot. Bonds6

About N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 64769555) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID64769555
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C(C)(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3/c1-4-9-19-10-13-11-20-16(21-12-13)17(2,3)14-5-7-15(18)8-6-14/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyQIQQPWKTAXJHSR-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(4-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 66065134
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
N-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651243
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine (CID 64769555) is N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C(C)(C)c2ccc(F)cc2)nc1.
What is the InChIKey of N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is QIQQPWKTAXJHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-9-19-10-13-11-20-16(21-12-13)17(2,3)14-5-7-15(18)8-6-14/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 64769555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).