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

C12H18ClN3O2 — CID 114156920

IUPAC6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-10-15-9(13)5-11(16-10)14-6-8-7-17-12(2,3)18-8/h5,8H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeySJDOYGPVUZHVSV-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.26
Rot. Bonds4

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

6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine (PubChem CID 114156920) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
PubChem CID114156920
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC2COC(C)(C)O2)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-10-15-9(13)5-11(16-10)14-6-8-7-17-12(2,3)18-8/h5,8H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeySJDOYGPVUZHVSV-UHFFFAOYSA-N
XLogP2.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine (CID 114156920) is 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(NCC2COC(C)(C)O2)n1.
What is the InChIKey of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine?
The InChIKey is SJDOYGPVUZHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-10-15-9(13)5-11(16-10)14-6-8-7-17-12(2,3)18-8/h5,8H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine?
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine has a molecular weight of 271.75 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 114156920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).