2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine

C13H20ClN3O — CID 82729410

IUPAC2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
SMILESCC1OCCC1Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-8-9(5-6-18-8)15-11-7-10(14)16-12(17-11)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyPWKUYHJKVIZEPN-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.02
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine (PubChem CID 82729410) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
PubChem CID82729410
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
SMILESCC1OCCC1Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H20ClN3O/c1-8-9(5-6-18-8)15-11-7-10(14)16-12(17-11)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyPWKUYHJKVIZEPN-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine (CID 82729410) is 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine is CC1OCCC1Nc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The InChIKey is PWKUYHJKVIZEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8-9(5-6-18-8)15-11-7-10(14)16-12(17-11)13(2,3)4/h7-9H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2-methyloxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82729410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).