6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine

C12H20ClN3O — CID 80953498

IUPAC6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCN(CCOC)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-5-16(6-7-17-4)11-8-10(13)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyGEZFPRSSEVOCJV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.73
Rot. Bonds6

About 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953498) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953498
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCN(CCOC)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C12H20ClN3O/c1-5-16(6-7-17-4)11-8-10(13)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3
InChIKeyGEZFPRSSEVOCJV-UHFFFAOYSA-N
XLogP2.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine (CID 80953498) is 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine is CCN(CCOC)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GEZFPRSSEVOCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-16(6-7-17-4)11-8-10(13)14-12(15-11)9(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 257.76 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).