3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine

C13H19N5O2 — CID 58589845

IUPAC3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine
SMILESCOc1cc(-n2nc(C(C)(C)C)cc2N)nc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)8-6-9(14)18(17-8)10-7-11(19-4)16-12(15-10)20-5/h6-7H,14H2,1-5H3
InChIKeyDIVLBVGWRWDNTO-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.56
Rot. Bonds3

About 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine

3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine (PubChem CID 58589845) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine
PubChem CID58589845
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine
SMILESCOc1cc(-n2nc(C(C)(C)C)cc2N)nc(OC)n1
InChIInChI=1S/C13H19N5O2/c1-13(2,3)8-6-9(14)18(17-8)10-7-11(19-4)16-12(15-10)20-5/h6-7H,14H2,1-5H3
InChIKeyDIVLBVGWRWDNTO-UHFFFAOYSA-N
XLogP1.56
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
3-tert-butyl-1-(2-methoxy-5-methylphenyl)pyrazol-5-amine;hydrochloride
CID 44891492
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2,6-dimethoxypyrimidine
CID 121065332
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
CID 58011098
5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
CID 22972803
2-tert-butyl-4-isocyano-6-methoxypyridine
CID 171717491
3-amino-N'-[4,6-bis(5-amino-3-tert-butylpyrazol-1-yl)-1,3,5-triazin-2-yl]-4,4-dimethylpent-2-enimidamide
CID 158157383
3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
CID 67021582

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine (CID 58589845) is 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine is COc1cc(-n2nc(C(C)(C)C)cc2N)nc(OC)n1.
What is the InChIKey of 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine?
The InChIKey is DIVLBVGWRWDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-13(2,3)8-6-9(14)18(17-8)10-7-11(19-4)16-12(15-10)20-5/h6-7H,14H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine?
3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine has a molecular weight of 277.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,6-dimethoxypyrimidin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 58589845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).