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

C17H26N6O — CID 99946648

IUPAC5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(NC[C@H]2CCCO2)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)/t15-/m1/s1
InChIKeyUOLVGHHVECNDIR-OAHLLOKOSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds8

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

5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99946648) 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-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99946648
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(NC[C@H]2CCCO2)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)/t15-/m1/s1
InChIKeyUOLVGHHVECNDIR-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99946648) is 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CCN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nccn1C.
What is the InChIKey of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is UOLVGHHVECNDIR-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of 5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]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-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99946648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).