(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C17H26N6O — CID 97115224

IUPAC(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCCc1c(C)nc(N)nc1N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C17H26N6O/c1-4-13-11(2)20-17(18)21-15(13)23-8-5-12(6-9-23)14(24)16-19-7-10-22(16)3/h7,10,12,14,24H,4-6,8-9H2,1-3H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyLEPXFXPVUPCCFK-CQSZACIVSA-N
MW330.44 g/mol
LogP1.61
Rot. Bonds4

About (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 97115224) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID97115224
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCCc1c(C)nc(N)nc1N1CCC([C@@H](O)c2nccn2C)CC1
InChIInChI=1S/C17H26N6O/c1-4-13-11(2)20-17(18)21-15(13)23-8-5-12(6-9-23)14(24)16-19-7-10-22(16)3/h7,10,12,14,24H,4-6,8-9H2,1-3H3,(H2,18,20,21)/t14-/m1/s1
InChIKeyLEPXFXPVUPCCFK-CQSZACIVSA-N
XLogP1.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

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(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
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(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 72853066
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CID 95144700
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(1-methylimidazol-2-yl)-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]methanol
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[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 97115224) is (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is CCc1c(C)nc(N)nc1N1CCC([C@@H](O)c2nccn2C)CC1.
What is the InChIKey of (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is LEPXFXPVUPCCFK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-13-11(2)20-17(18)21-15(13)23-8-5-12(6-9-23)14(24)16-19-7-10-22(16)3/h7,10,12,14,24H,4-6,8-9H2,1-3H3,(H2,18,20,21)/t14-/m1/s1.
What are the key properties of (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 330.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 97115224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).