6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine

C15H21N5 — CID 62191984

IUPAC6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(-c2cnccn2)n1
InChIInChI=1S/C15H21N5/c1-5-6-18-13-9-12(15(2,3)4)19-14(20-13)11-10-16-7-8-17-11/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQAWAPGOOSASZRJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.05
Rot. Bonds4

About 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine

6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 62191984) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID62191984
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(-c2cnccn2)n1
InChIInChI=1S/C15H21N5/c1-5-6-18-13-9-12(15(2,3)4)19-14(20-13)11-10-16-7-8-17-11/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyQAWAPGOOSASZRJ-UHFFFAOYSA-N
XLogP3.05
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine (CID 62191984) is 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(-c2cnccn2)n1.
What is the InChIKey of 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is QAWAPGOOSASZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-5-6-18-13-9-12(15(2,3)4)19-14(20-13)11-10-16-7-8-17-11/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine?
6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62191984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).