6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine

C10H16ClN3O2 — CID 106197156

IUPAC6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc(Cl)c1C)OC
InChIInChI=1S/C10H16ClN3O2/c1-6-9(11)13-7(2)14-10(6)12-5-8(15-3)16-4/h8H,5H2,1-4H3,(H,12,13,14)
InChIKeyVAATVDRZMWOEOX-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.78
Rot. Bonds5

About 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 106197156) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID106197156
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOC(CNc1nc(C)nc(Cl)c1C)OC
InChIInChI=1S/C10H16ClN3O2/c1-6-9(11)13-7(2)14-10(6)12-5-8(15-3)16-4/h8H,5H2,1-4H3,(H,12,13,14)
InChIKeyVAATVDRZMWOEOX-UHFFFAOYSA-N
XLogP1.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine (CID 106197156) is 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine is COC(CNc1nc(C)nc(Cl)c1C)OC.
What is the InChIKey of 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is VAATVDRZMWOEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-6-9(11)13-7(2)14-10(6)12-5-8(15-3)16-4/h8H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 245.71 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106197156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).