6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

C13H17N5 — CID 115528413

IUPAC6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H17N5/c1-8-15-6-5-9(16-8)12-17-10(13(2,3)4)7-11(14)18-12/h5-7H,1-4H3,(H2,14,17,18)
InChIKeyUSASUWUQZDKSJV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds1

About 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 115528413) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
PubChem CID115528413
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H17N5/c1-8-15-6-5-9(16-8)12-17-10(13(2,3)4)7-11(14)18-12/h5-7H,1-4H3,(H2,14,17,18)
InChIKeyUSASUWUQZDKSJV-UHFFFAOYSA-N
XLogP2.12
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrimidin-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113329092
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
6-tert-butyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970151
6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
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6-tert-butyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771374
6-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557312
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346
6-tert-butyl-2-chloropyrimidin-4-amine
CID 58008872
6-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-4-carbaldehyde
CID 115531238
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843839

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (CID 115528413) is 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is Cc1nccc(-c2nc(N)cc(C(C)(C)C)n2)n1.
What is the InChIKey of 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is USASUWUQZDKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-15-6-5-9(16-8)12-17-10(13(2,3)4)7-11(14)18-12/h5-7H,1-4H3,(H2,14,17,18).
What are the key properties of 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 115528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).