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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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).