2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C14H21N5 — CID 80974722

IUPAC2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cnn(C)c2)c1C
InChIInChI=1S/C14H21N5/c1-9-11(10-7-16-19(6)8-10)17-13(14(2,3)4)18-12(9)15-5/h7-8H,1-6H3,(H,15,17,18)
InChIKeyIGDKCYWVJZGIJA-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.52
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 80974722) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID80974722
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cnn(C)c2)c1C
InChIInChI=1S/C14H21N5/c1-9-11(10-7-16-19(6)8-10)17-13(14(2,3)4)18-12(9)15-5/h7-8H,1-6H3,(H,15,17,18)
InChIKeyIGDKCYWVJZGIJA-UHFFFAOYSA-N
XLogP2.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.52
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,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 80974722) is 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2cnn(C)c2)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is IGDKCYWVJZGIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-11(10-7-16-19(6)8-10)17-13(14(2,3)4)18-12(9)15-5/h7-8H,1-6H3,(H,15,17,18).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.52, 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,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80974722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).