4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine

C10H15Cl2N3O2 — CID 11580006

IUPAC4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine
SMILESCCOC(Cc1c(Cl)nc(N)nc1Cl)OCC
InChIInChI=1S/C10H15Cl2N3O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDDSIONISSNPQDQ-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.31
Rot. Bonds6

About 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine

4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine (PubChem CID 11580006) has the molecular formula C10H15Cl2N3O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine
PubChem CID11580006
Molecular FormulaC10H15Cl2N3O2
Molecular Weight280.15 g/mol
Exact Mass279.05
IUPAC Name4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine
SMILESCCOC(Cc1c(Cl)nc(N)nc1Cl)OCC
InChIInChI=1S/C10H15Cl2N3O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDDSIONISSNPQDQ-UHFFFAOYSA-N
XLogP2.31
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.31
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

4,6-Dichloro-5-(2,2-diethoxyethyl)pyrimidine
CID 19794305
6-Chloro-5-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 134693311
2,4-Dichloro-5-(2,2-diethoxyethyl)pyrimidine
CID 15405058
Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate
CID 27374117
Ethyl 2-(2-amino-4,6-dichloropyrimidin-5-yl)acetate
CID 58278256
CID 58338158
CID 58338158
Ethyl 2-(4-amino-2,6-dichloropyrimidin-5-yl)acetate
CID 121484751
4-Chloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine
CID 132200601
2-(2,4,6-Trichloropyrimidin-5-yl)ethyl acetate
CID 142716228
6-Chloro-5-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 154171639
5-(2,2-Diethoxyethyl)pyrimidine-2,4,6-triamine
CID 154257451
4,6-Dichloro-5-(2,2-dimethoxyethyl)pyrimidine
CID 154678232

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine (CID 11580006) is 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine is CCOC(Cc1c(Cl)nc(N)nc1Cl)OCC.
What is the InChIKey of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine?
The InChIKey is DDSIONISSNPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O2/c1-3-16-7(17-4-2)5-6-8(11)14-10(13)15-9(6)12/h7H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine?
4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine has a molecular weight of 280.15 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 11580006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).