2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine

C13H19N5 — CID 80952490

IUPAC2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccnn2C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H19N5/c1-13(2,3)12-16-9(8-11(14-4)17-12)10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17)
InChIKeyVWDSLVZXNZQFAT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds2

About 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine

2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 80952490) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID80952490
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1cc(-c2ccnn2C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H19N5/c1-13(2,3)12-16-9(8-11(14-4)17-12)10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17)
InChIKeyVWDSLVZXNZQFAT-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-(3-methoxypyrazin-2-yl)-N-methylpyrimidin-4-amine
CID 104516561
2-tert-butyl-6-(3-chloro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115504214
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
CID 80952417
2-tert-butyl-4-N-(3,4-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956391

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine (CID 80952490) is 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine is CNc1cc(-c2ccnn2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is VWDSLVZXNZQFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)12-16-9(8-11(14-4)17-12)10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17).
What are the key properties of 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine?
2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80952490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).