6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine

C15H26ClN3O — CID 63728997

IUPAC6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-6-12(7-2)19(8-9-20-5)15-13(11(3)4)14(16)17-10-18-15/h10-12H,6-9H2,1-5H3
InChIKeyQNGVTPHWHXHTDE-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.89
Rot. Bonds8

About 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63728997) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63728997
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H26ClN3O/c1-6-12(7-2)19(8-9-20-5)15-13(11(3)4)14(16)17-10-18-15/h10-12H,6-9H2,1-5H3
InChIKeyQNGVTPHWHXHTDE-UHFFFAOYSA-N
XLogP3.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine (CID 63728997) is 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine is CCC(CC)N(CCOC)c1ncnc(Cl)c1C(C)C.
What is the InChIKey of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QNGVTPHWHXHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-6-12(7-2)19(8-9-20-5)15-13(11(3)4)14(16)17-10-18-15/h10-12H,6-9H2,1-5H3.
What are the key properties of 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 299.85 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63728997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).