6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C13H19N5 — CID 55045442

IUPAC6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-13(2,3)10-6-11(14-4)17-12(16-10)9-7-15-18(5)8-9/h6-8H,1-5H3,(H,14,16,17)
InChIKeyXITXABLOQXBPFI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds2

About 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 55045442) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID55045442
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-13(2,3)10-6-11(14-4)17-12(16-10)9-7-15-18(5)8-9/h6-8H,1-5H3,(H,14,16,17)
InChIKeyXITXABLOQXBPFI-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

6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 55193463
2-(3-bromo-5-fluorophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66424292
2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 105410378
N-methyl-6-(1-methylpyrazol-4-yl)-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716022
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327
N-methyl-6-(1-methylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 106715777
N-methyl-6-(1-methylpyrazol-4-yl)-2-(4-methylthiophen-3-yl)pyrimidin-4-amine
CID 106715813
[2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-yl]hydrazine
CID 62251648
N-methyl-6-(1-methylpyrazol-4-yl)-2-pentan-3-ylpyrimidin-4-amine
CID 106716024

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 55045442) is 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2cnn(C)c2)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XITXABLOQXBPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,3)10-6-11(14-4)17-12(16-10)9-7-15-18(5)8-9/h6-8H,1-5H3,(H,14,16,17).
What are the key properties of 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-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 6-tert-butyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 55045442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).