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

C15H26ClN3O2 — CID 80945315

IUPAC2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)COC
InChIInChI=1S/C15H26ClN3O2/c1-11(10-21-6)19(7-8-20-5)13-9-12(16)17-14(18-13)15(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyDYEURMORDYECBO-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.92
Rot. Bonds7

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

2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 80945315) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID80945315
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)COC
InChIInChI=1S/C15H26ClN3O2/c1-11(10-21-6)19(7-8-20-5)13-9-12(16)17-14(18-13)15(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyDYEURMORDYECBO-UHFFFAOYSA-N
XLogP2.92
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 80945315) is 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is COCCN(c1cc(Cl)nc(C(C)(C)C)n1)C(C)COC.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is DYEURMORDYECBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2/c1-11(10-21-6)19(7-8-20-5)13-9-12(16)17-14(18-13)15(2,3)4/h9,11H,7-8,10H2,1-6H3.
What are the key properties of 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 315.85 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80945315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).