2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol

C16H23N5O2 — CID 118787676

IUPAC2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1nc(C2CCOC2)cc(N(CCO)Cc2nccn2C)n1
InChIInChI=1S/C16H23N5O2/c1-12-18-14(13-3-8-23-11-13)9-15(19-12)21(6-7-22)10-16-17-4-5-20(16)2/h4-5,9,13,22H,3,6-8,10-11H2,1-2H3
InChIKeyHBXCFDIPKIHHFO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.02
Rot. Bonds6

About 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol

2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 118787676) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID118787676
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESCc1nc(C2CCOC2)cc(N(CCO)Cc2nccn2C)n1
InChIInChI=1S/C16H23N5O2/c1-12-18-14(13-3-8-23-11-13)9-15(19-12)21(6-7-22)10-16-17-4-5-20(16)2/h4-5,9,13,22H,3,6-8,10-11H2,1-2H3
InChIKeyHBXCFDIPKIHHFO-UHFFFAOYSA-N
XLogP1.02
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125167730
2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 126452469
3-[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-(pyridin-4-ylmethyl)amino]propan-1-ol
CID 118794411
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119074155
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183
1-[4-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 119071470
N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol (CID 118787676) is 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol is Cc1nc(C2CCOC2)cc(N(CCO)Cc2nccn2C)n1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is HBXCFDIPKIHHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-18-14(13-3-8-23-11-13)9-15(19-12)21(6-7-22)10-16-17-4-5-20(16)2/h4-5,9,13,22H,3,6-8,10-11H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 317.39 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 118787676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).