N,2-ditert-butyl-6-methoxypyrimidin-4-amine

C13H23N3O — CID 82456784

IUPACN,2-ditert-butyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-12(2,3)11-14-9(16-13(4,5)6)8-10(15-11)17-7/h8H,1-7H3,(H,14,15,16)
InChIKeyAHPOMMXGKLDDJA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.99
Rot. Bonds2

About N,2-ditert-butyl-6-methoxypyrimidin-4-amine

N,2-ditert-butyl-6-methoxypyrimidin-4-amine (PubChem CID 82456784) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,2-ditert-butyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-6-methoxypyrimidin-4-amine
PubChem CID82456784
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,2-ditert-butyl-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-12(2,3)11-14-9(16-13(4,5)6)8-10(15-11)17-7/h8H,1-7H3,(H,14,15,16)
InChIKeyAHPOMMXGKLDDJA-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N,2-ditert-butyl-6-methoxypyrimidin-4-amine (CID 82456784) is N,2-ditert-butyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N,2-ditert-butyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N,2-ditert-butyl-6-methoxypyrimidin-4-amine is COc1cc(NC(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of N,2-ditert-butyl-6-methoxypyrimidin-4-amine?
The InChIKey is AHPOMMXGKLDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(2,3)11-14-9(16-13(4,5)6)8-10(15-11)17-7/h8H,1-7H3,(H,14,15,16).
What are the key properties of N,2-ditert-butyl-6-methoxypyrimidin-4-amine?
N,2-ditert-butyl-6-methoxypyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 82456784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).