2-butan-2-ylpyrimidin-5-amine

C8H13N3 — CID 62313785

IUPAC2-butan-2-ylpyrimidin-5-amine
SMILESCCC(C)c1ncc(N)cn1
InChIInChI=1S/C8H13N3/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3,9H2,1-2H3
InChIKeyNASHMKOVTHJATO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 2-butan-2-ylpyrimidin-5-amine

2-butan-2-ylpyrimidin-5-amine (PubChem CID 62313785) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-butan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-butan-2-ylpyrimidin-5-amine
PubChem CID62313785
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-butan-2-ylpyrimidin-5-amine
SMILESCCC(C)c1ncc(N)cn1
InChIInChI=1S/C8H13N3/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3,9H2,1-2H3
InChIKeyNASHMKOVTHJATO-UHFFFAOYSA-N
XLogP1.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
N-methylpyrimidine-2-carboximidamide
CID 57780677
N,N-dimethylpyrimidin-5-amine
CID 578965
Pyrimidine, 5-amino-2-butoxy-
CID 3041747
2-Methylpyrimidin-5-amine
CID 295764
2-Methoxypyrimidin-5-amine
CID 352904
2-Chloropyrimidin-5-amine
CID 12215993

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-butan-2-ylpyrimidin-5-amine (CID 62313785) is 2-butan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-butan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-butan-2-ylpyrimidin-5-amine is CCC(C)c1ncc(N)cn1.
What is the InChIKey of 2-butan-2-ylpyrimidin-5-amine?
The InChIKey is NASHMKOVTHJATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3,9H2,1-2H3.
What are the key properties of 2-butan-2-ylpyrimidin-5-amine?
2-butan-2-ylpyrimidin-5-amine has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62313785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).