4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C13H19N5 — CID 146270411

IUPAC4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccnn2C)nc1C(C)(C)C
InChIInChI=1S/C13H19N5/c1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17)
InChIKeyVLXRPESVEKLYRU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds2

About 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 146270411) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID146270411
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccnn2C)nc1C(C)(C)C
InChIInChI=1S/C13H19N5/c1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17)
InChIKeyVLXRPESVEKLYRU-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 146270411) is 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is Cc1cnc(Nc2ccnn2C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is VLXRPESVEKLYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-8-14-12(17-11(9)13(2,3)4)16-10-6-7-15-18(10)5/h6-8H,1-5H3,(H,14,16,17).
What are the key properties of 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 146270411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).