2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine

C16H26ClN3O — CID 80945319

IUPAC2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)C1CC1
InChIInChI=1S/C16H26ClN3O/c1-11(12-6-7-12)20(8-9-21-5)14-10-13(17)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3
InChIKeyLMLDUGCGLKNBPS-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.68
Rot. Bonds6

About 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 80945319) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID80945319
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)C1CC1
InChIInChI=1S/C16H26ClN3O/c1-11(12-6-7-12)20(8-9-21-5)14-10-13(17)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3
InChIKeyLMLDUGCGLKNBPS-UHFFFAOYSA-N
XLogP3.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine (CID 80945319) is 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine is COCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)C1CC1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is LMLDUGCGLKNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(12-6-7-12)20(8-9-21-5)14-10-13(17)18-15(19-14)16(2,3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 311.86 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 80945319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).