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

C15H23N5 — CID 80953067

IUPAC2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5/c1-6-7-16-13-8-12(11-9-17-20(5)10-11)18-14(19-13)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyRBVROMUATPPFLE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.00
Rot. Bonds4

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

2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 80953067) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
PubChem CID80953067
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnn(C)c2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H23N5/c1-6-7-16-13-8-12(11-9-17-20(5)10-11)18-14(19-13)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyRBVROMUATPPFLE-UHFFFAOYSA-N
XLogP3.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine (CID 80953067) is 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cnn(C)c2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is RBVROMUATPPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-7-16-13-8-12(11-9-17-20(5)10-11)18-14(19-13)15(2,3)4/h8-10H,6-7H2,1-5H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80953067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).