N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

C15H17FN4O — CID 660212

IUPACN-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cnc(N2CCOCC2)nc1NCc1ccccc1
InChIInChI=1S/C15H17FN4O/c16-13-11-18-15(20-6-8-21-9-7-20)19-14(13)17-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,19)
InChIKeyLTCNBFLDKXNPPN-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.06
Rot. Bonds4

About N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 660212) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID660212
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cnc(N2CCOCC2)nc1NCc1ccccc1
InChIInChI=1S/C15H17FN4O/c16-13-11-18-15(20-6-8-21-9-7-20)19-14(13)17-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,19)
InChIKeyLTCNBFLDKXNPPN-UHFFFAOYSA-N
XLogP2.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486
US9205085, Msx-193
CID 49857681
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
5-fluoro-N-[[4-[[(5-fluoro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]methyl]-2-methoxypyrimidin-4-amine
CID 49857684
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
N-(3-Fluoro-benzylidene)-N'-(6-morpholin-4-yl-pyrimidin-4-yl)-hydrazine
CID 9589758

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (CID 660212) is N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is Fc1cnc(N2CCOCC2)nc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LTCNBFLDKXNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-13-11-18-15(20-6-8-21-9-7-20)19-14(13)17-10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,17,18,19).
What are the key properties of N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 288.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 660212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).