6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine

C13H20ClN3O2 — CID 114096228

IUPAC6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-18-8-12-15-10(14)7-11(16-12)17-13(3)5-6-19-9(13)2/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyNMOCGULXVNXIBH-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.65
Rot. Bonds5

About 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine

6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine (PubChem CID 114096228) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine
PubChem CID114096228
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-18-8-12-15-10(14)7-11(16-12)17-13(3)5-6-19-9(13)2/h7,9H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyNMOCGULXVNXIBH-UHFFFAOYSA-N
XLogP2.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931
6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416
3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137198
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 114096231
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
N-but-3-yn-2-yl-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 106196464
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
N-(5-bromo-3-pyridinyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114222602
6-chloro-2-(ethoxymethyl)-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 113400943
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine (CID 114096228) is 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine is CCOCc1nc(Cl)cc(NC2(C)CCOC2C)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine?
The InChIKey is NMOCGULXVNXIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-18-8-12-15-10(14)7-11(16-12)17-13(3)5-6-19-9(13)2/h7,9H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine?
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine has a molecular weight of 285.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-(ethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 114096228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).