2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol

C15H20N6O — CID 139358723

IUPAC2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCCC(CCO)C3)n2)[nH]1
InChIInChI=1S/C15H20N6O/c16-8-13-18-9-12(19-13)15-17-5-3-14(20-15)21-6-1-2-11(10-21)4-7-22/h3,5,8-9,11,16,22H,1-2,4,6-7,10H2,(H,18,19)/b16-8+
InChIKeyZQZYJNJINLSLQR-LZYBPNLTSA-N
MW300.37 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol

2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol (PubChem CID 139358723) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol
PubChem CID139358723
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCCC(CCO)C3)n2)[nH]1
InChIInChI=1S/C15H20N6O/c16-8-13-18-9-12(19-13)15-17-5-3-14(20-15)21-6-1-2-11(10-21)4-7-22/h3,5,8-9,11,16,22H,1-2,4,6-7,10H2,(H,18,19)/b16-8+
InChIKeyZQZYJNJINLSLQR-LZYBPNLTSA-N
XLogP1.46
TPSA101.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-[1-(5-bromopyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 124883293
2-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]-1H-imidazol-5-yl]pyrimidine
CID 152569191
1-[5-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-2-yl]-1H-imidazol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]methanimine
CID 163857816
1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 121548313
(R)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 124884128
(S)-1H-imidazol-2-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 124884129
2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
CID 128995129
2-[[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129479527
2-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129479528
1-(2-{[2-(1H-Imidazol-2-YL)ethyl]amino}pyrimidin-4-YL)piperidin-4-OL
CID 50964902
2-[4-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149822
2-[4-[[2-(4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine
CID 10308804

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol (CID 139358723) is 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol is [H]/N=C/c1ncc(-c2nccc(N3CCCC(CCO)C3)n2)[nH]1.
What is the InChIKey of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is ZQZYJNJINLSLQR-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H20N6O/c16-8-13-18-9-12(19-13)15-17-5-3-14(20-15)21-6-1-2-11(10-21)4-7-22/h3,5,8-9,11,16,22H,1-2,4,6-7,10H2,(H,18,19)/b16-8+.
What are the key properties of 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol?
2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methanimidoyl-1H-imidazol-5-yl)pyrimidin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 139358723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).