5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine

C16H26FN5O — CID 50950910

IUPAC5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN1CCCC(CN(C)c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C16H26FN5O/c1-20-5-3-4-13(11-20)12-21(2)16-18-10-14(17)15(19-16)22-6-8-23-9-7-22/h10,13H,3-9,11-12H2,1-2H3
InChIKeySVCPHRWXYOKQDO-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.23
Rot. Bonds4

About 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine

5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50950910) has the molecular formula C16H26FN5O and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50950910
Molecular FormulaC16H26FN5O
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN1CCCC(CN(C)c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C16H26FN5O/c1-20-5-3-4-13(11-20)12-21(2)16-18-10-14(17)15(19-16)22-6-8-23-9-7-22/h10,13H,3-9,11-12H2,1-2H3
InChIKeySVCPHRWXYOKQDO-UHFFFAOYSA-N
XLogP1.23
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
4-[5-Bromo-4-(1-piperidinyl)-2-pyrimidinyl]morpholine
CID 888822
4-(5-Bromo-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 890559
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
4-[6-(3,3-Dimethylpiperidin-1-yl)pyrimidin-4-yl]morpholine
CID 155555557
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
5-Fluoro-2,4-di(piperidin-1-yl)pyrimidine
CID 677821

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 50950910) is 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine is CN1CCCC(CN(C)c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is SVCPHRWXYOKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5O/c1-20-5-3-4-13(11-20)12-21(2)16-18-10-14(17)15(19-16)22-6-8-23-9-7-22/h10,13H,3-9,11-12H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 323.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50950910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).