[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C16H23FN6O — CID 137336879

IUPAC[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1nc(N2CCC(C(O)c3nccn3C)CC2)ncc1F
InChIInChI=1S/C16H23FN6O/c1-21(2)14-12(17)10-19-16(20-14)23-7-4-11(5-8-23)13(24)15-18-6-9-22(15)3/h6,9-11,13,24H,4-5,7-8H2,1-3H3
InChIKeyFBIBVXZKQYIVFB-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.37
Rot. Bonds4

About [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 137336879) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID137336879
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCN(C)c1nc(N2CCC(C(O)c3nccn3C)CC2)ncc1F
InChIInChI=1S/C16H23FN6O/c1-21(2)14-12(17)10-19-16(20-14)23-7-4-11(5-8-23)13(24)15-18-6-9-22(15)3/h6,9-11,13,24H,4-5,7-8H2,1-3H3
InChIKeyFBIBVXZKQYIVFB-UHFFFAOYSA-N
XLogP1.37
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-{methyl[(1-methyl-1H-imidazol-2-yl)methyl]amino}pyrimidin-4-yl)piperidin-3-ol
CID 50979500
(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 124883293
(3S)-1-[2-[[1-(imidazol-1-ylmethyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 164631072
1-[5-Fluoro-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 168823461
1-[5-Fluoro-4-(2-methylimidazol-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 172581439
5-fluoro-2-[4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 50958561
1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol
CID 50972443
5-fluoro-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 50981240
4-{5-fluoro-2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72840504
2-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}-1-piperidinyl)-5-fluoro-N,N-dimethyl-4-pyrimidinamine
CID 72862478
4-(2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-5-fluoropyrimidin-4-yl)morpholine
CID 72872452
5-fluoro-2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrimidin-4-amine
CID 72897039

Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 137336879) is [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is CN(C)c1nc(N2CCC(C(O)c3nccn3C)CC2)ncc1F.
What is the InChIKey of [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is FBIBVXZKQYIVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-21(2)14-12(17)10-19-16(20-14)23-7-4-11(5-8-23)13(24)15-18-6-9-22(15)3/h6,9-11,13,24H,4-5,7-8H2,1-3H3.
What are the key properties of [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 334.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 137336879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).