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

C11H16ClN3O2 — CID 106196952

IUPAC2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2COC(C)(C)O2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7-4-9(15-10(12)14-7)13-5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyXGTVBBTUGXRXQT-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.00
Rot. Bonds3

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

2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 106196952) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID106196952
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC2COC(C)(C)O2)nc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7-4-9(15-10(12)14-7)13-5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyXGTVBBTUGXRXQT-UHFFFAOYSA-N
XLogP2.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine (CID 106196952) is 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(NCC2COC(C)(C)O2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is XGTVBBTUGXRXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-4-9(15-10(12)14-7)13-5-8-6-16-11(2,3)17-8/h4,8H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine?
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 257.72 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 106196952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).