5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine

C17H25FN6O — CID 97278798

IUPAC5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCOCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C17H25FN6O/c1-22(2)16-14(18)11-20-17(21-16)24-7-4-5-13(12-24)15-19-6-8-23(15)9-10-25-3/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyASBBXPBYWFOLOC-ZDUSSCGKSA-N
MW348.43 g/mol
LogP1.91
Rot. Bonds6

About 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine

5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 97278798) has the molecular formula C17H25FN6O and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID97278798
Molecular FormulaC17H25FN6O
Molecular Weight348.43 g/mol
Exact Mass348.21
IUPAC Name5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCOCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C17H25FN6O/c1-22(2)16-14(18)11-20-17(21-16)24-7-4-5-13(12-24)15-19-6-8-23(15)9-10-25-3/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyASBBXPBYWFOLOC-ZDUSSCGKSA-N
XLogP1.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Morpholine, 4-(2-(1H-imidazol-1-yl)-4-pyrimidinyl)-, monohydrochloride
CID 3071747
(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
2-ethyl-5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrimidine
CID 70781196
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
6-(3-{1-[3-(dimethylamino)propyl]-1H-imidazol-2-yl}piperidin-1-yl)pyrimidin-4-amine
CID 72844111
6-(3-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)-4-pyrimidinamine
CID 72873331
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 72856404
6-imidazol-1-yl-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]pyrimidin-4-amine
CID 95981418
2-methoxy-5-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]pyrimidine
CID 164632310
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 97278798) is 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine is COCCn1ccnc1[C@H]1CCCN(c2ncc(F)c(N(C)C)n2)C1.
What is the InChIKey of 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is ASBBXPBYWFOLOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN6O/c1-22(2)16-14(18)11-20-17(21-16)24-7-4-5-13(12-24)15-19-6-8-23(15)9-10-25-3/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine?
5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 97278798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).