2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine

C17H21N3O2 — CID 125423856

IUPAC2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2cccc(C3(C)OCCO3)c2)nc(C)n1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(20-13(2)19-12)18-11-14-5-4-6-15(10-14)17(3)21-7-8-22-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,19,20)
InChIKeyHZVSEIJWYONDGA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.93
Rot. Bonds4

About 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine

2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 125423856) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID125423856
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1cc(NCc2cccc(C3(C)OCCO3)c2)nc(C)n1
InChIInChI=1S/C17H21N3O2/c1-12-9-16(20-13(2)19-12)18-11-14-5-4-6-15(10-14)17(3)21-7-8-22-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,19,20)
InChIKeyHZVSEIJWYONDGA-UHFFFAOYSA-N
XLogP2.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-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

N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
2,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
CID 167795619
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine (CID 125423856) is 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine is Cc1cc(NCc2cccc(C3(C)OCCO3)c2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is HZVSEIJWYONDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-9-16(20-13(2)19-12)18-11-14-5-4-6-15(10-14)17(3)21-7-8-22-17/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,19,20).
What are the key properties of 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine?
2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 125423856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).