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

C16H23FN6O — CID 50981240

IUPAC5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(CCCc1nccn1C)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H23FN6O/c1-21-7-5-18-14(21)4-3-6-22(2)16-19-12-13(17)15(20-16)23-8-10-24-11-9-23/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyFSJZACMLXPOFGW-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.25
Rot. Bonds6

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

5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50981240) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50981240
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCN(CCCc1nccn1C)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C16H23FN6O/c1-21-7-5-18-14(21)4-3-6-22(2)16-19-12-13(17)15(20-16)23-8-10-24-11-9-23/h5,7,12H,3-4,6,8-11H2,1-2H3
InChIKeyFSJZACMLXPOFGW-UHFFFAOYSA-N
XLogP1.25
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-N4-(1-Methylimidazol-4-Yl)-6-Morpholino-1,3,5-Triazine-2,4-Diamine
CID 67300255
US10392376, Example 81
CID 137417677
Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride
CID 3071747
Morpholine, 4-(4-(1H-imidazol-1-yl)-2-pyrimidinyl)-, dihydrochloride
CID 3071753
4-[5-fluoro-4-(2-methyl-5-nitro-1H-imidazol-1-yl)pyrimidin-2-yl]morpholine
CID 748206
1-(2-{methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)piperidin-3-ol
CID 50979500
(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97409918
4-[(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 97510746
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113842

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 50981240) is 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine is CN(CCCc1nccn1C)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is FSJZACMLXPOFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-21-7-5-18-14(21)4-3-6-22(2)16-19-12-13(17)15(20-16)23-8-10-24-11-9-23/h5,7,12H,3-4,6,8-11H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50981240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).