5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C17H26N6O — CID 77093139

IUPAC5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc(NCC2CCCO2)nc1)Cc1nccn1C
InChIInChI=1S/C17H26N6O/c1-3-23(13-16-18-6-7-22(16)2)12-14-9-19-17(20-10-14)21-11-15-5-4-8-24-15/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,19,20,21)
InChIKeyUOLVGHHVECNDIR-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds8

About 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 77093139) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID77093139
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cnc(NCC2CCCO2)nc1)Cc1nccn1C
InChIInChI=1S/C17H26N6O/c1-3-23(13-16-18-6-7-22(16)2)12-14-9-19-17(20-10-14)21-11-15-5-4-8-24-15/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,19,20,21)
InChIKeyUOLVGHHVECNDIR-UHFFFAOYSA-N
XLogP1.82
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
N-[[(3S,3aR,7aR)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine
CID 97460042
5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99946648
4-(imidazol-1-ylmethyl)-1-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]piperidin-4-ol
CID 99946688
5-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129616393
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-fluoropyrimidin-2-amine
CID 128967819
5-fluoro-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 128971463
5-fluoro-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 128975000
N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 128979367
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-5-fluoropyrimidin-2-amine
CID 129006914
5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 129482294
5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 129482295

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 77093139) is 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is CCN(Cc1cnc(NCC2CCCO2)nc1)Cc1nccn1C.
What is the InChIKey of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is UOLVGHHVECNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-23(13-16-18-6-7-22(16)2)12-14-9-19-17(20-10-14)21-11-15-5-4-8-24-15/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,19,20,21).
What are the key properties of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 77093139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).