2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine

C13H23N3O — CID 82456804

IUPAC2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)8-14-10-7-11(17-6)16-12(15-10)13(3,4)5/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyQKXYWKRGNLAHBQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.85
Rot. Bonds4

About 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine

2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 82456804) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID82456804
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cc(NCC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)8-14-10-7-11(17-6)16-12(15-10)13(3,4)5/h7,9H,8H2,1-6H3,(H,14,15,16)
InChIKeyQKXYWKRGNLAHBQ-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-ditert-butyl-6-methoxypyrimidin-4-amine
CID 82456784
2-tert-butyl-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 82456779
N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456798
2-tert-butyl-N-(3-methoxypropyl)-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456902
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
4-methoxy-6-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 165444873
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 113381553
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine (CID 82456804) is 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine is COc1cc(NCC(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is QKXYWKRGNLAHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)8-14-10-7-11(17-6)16-12(15-10)13(3,4)5/h7,9H,8H2,1-6H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine?
2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 82456804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).