5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine

C19H25FN4O — CID 95552056

IUPAC5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCO[C@@H](Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyQSFBRDTXJYUFDZ-SFHVURJKSA-N
MW344.43 g/mol
LogP2.88
Rot. Bonds7

About 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 95552056) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID95552056
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CCO[C@@H](Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyQSFBRDTXJYUFDZ-SFHVURJKSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62560597
2-[(3-fluorophenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 102604304
4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56867304
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
CID 45237362

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine (CID 95552056) is 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CCO[C@@H](Cc3cccc(F)c3)C2)cn1.
What is the InChIKey of 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is QSFBRDTXJYUFDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-6-21-19-22-11-16(12-23-19)13-24-7-8-25-18(14-24)10-15-4-3-5-17(20)9-15/h3-5,9,11-12,18H,2,6-8,10,13-14H2,1H3,(H,21,22,23)/t18-/m0/s1.
What are the key properties of 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 344.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 95552056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).