2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine

C10H15Cl2N3O2 — CID 131886166

IUPAC2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(Cl)nc(Cl)n1)OCC
InChIInChI=1S/C10H15Cl2N3O2/c1-3-16-9(17-4-2)6-13-8-5-7(11)14-10(12)15-8/h5,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyAWEFVIFJPDOCJC-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.59
Rot. Bonds7

About 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine

2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine (PubChem CID 131886166) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
PubChem CID131886166
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Name2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
SMILESCCOC(CNc1cc(Cl)nc(Cl)n1)OCC
InChIInChI=1S/C10H15Cl2N3O2/c1-3-16-9(17-4-2)6-13-8-5-7(11)14-10(12)15-8/h5,9H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyAWEFVIFJPDOCJC-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 88834197
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
2,6-dichloro-N-[(E)-pent-2-enyl]pyrimidin-4-amine
CID 131244442
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
2-[(2,6-dichloropyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 130569693
4-[(2,6-dichloropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 130570519
3-chloro-N-(2,2-diethoxyethyl)pyrazin-2-amine
CID 121204701
2,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
CID 130569788
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine (CID 131886166) is 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine is CCOC(CNc1cc(Cl)nc(Cl)n1)OCC.
What is the InChIKey of 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
The InChIKey is AWEFVIFJPDOCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2/c1-3-16-9(17-4-2)6-13-8-5-7(11)14-10(12)15-8/h5,9H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine?
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine has a molecular weight of 280.15 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 131886166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).