5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C18H26N6O — CID 154565762

IUPAC5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCN1CCC(n2ccnc2-c2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C18H26N6O/c1-23-7-4-15(5-8-23)24-9-6-19-17(24)14-11-20-18(21-12-14)22-13-16-3-2-10-25-16/h6,9,11-12,15-16H,2-5,7-8,10,13H2,1H3,(H,20,21,22)
InChIKeyRQKYECWACSFBEL-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.20
Rot. Bonds5

About 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 154565762) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID154565762
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCN1CCC(n2ccnc2-c2cnc(NCC3CCCO3)nc2)CC1
InChIInChI=1S/C18H26N6O/c1-23-7-4-15(5-8-23)24-9-6-19-17(24)14-11-20-18(21-12-14)22-13-16-3-2-10-25-16/h6,9,11-12,15-16H,2-5,7-8,10,13H2,1H3,(H,20,21,22)
InChIKeyRQKYECWACSFBEL-UHFFFAOYSA-N
XLogP2.20
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]imidazol-1-yl]ethanol
CID 56755962
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
5-[1-[(1-ethylimidazol-4-yl)methyl]imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;formic acid
CID 155939309
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99941314
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930888
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(3-methoxypropyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251671
5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 154565762) is 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is CN1CCC(n2ccnc2-c2cnc(NCC3CCCO3)nc2)CC1.
What is the InChIKey of 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is RQKYECWACSFBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23-7-4-15(5-8-23)24-9-6-19-17(24)14-11-20-18(21-12-14)22-13-16-3-2-10-25-16/h6,9,11-12,15-16H,2-5,7-8,10,13H2,1H3,(H,20,21,22).
What are the key properties of 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 154565762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).