2-butylpyrimidin-5-amine

C8H13N3 — CID 79405962

IUPAC2-butylpyrimidin-5-amine
SMILESCCCCc1ncc(N)cn1
InChIInChI=1S/C8H13N3/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKeyNMBLYFKQOACXAL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds3

About 2-butylpyrimidin-5-amine

2-butylpyrimidin-5-amine (PubChem CID 79405962) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-butylpyrimidin-5-amine.

Molecular Properties

Compound Name2-butylpyrimidin-5-amine
PubChem CID79405962
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-butylpyrimidin-5-amine
SMILESCCCCc1ncc(N)cn1
InChIInChI=1S/C8H13N3/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3
InChIKeyNMBLYFKQOACXAL-UHFFFAOYSA-N
XLogP1.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
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
Pyrimidine, 2-n-pentylamino-
CID 23423796
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

Frequently Asked Questions

What is the IUPAC name of 2-butylpyrimidin-5-amine?
The IUPAC name of 2-butylpyrimidin-5-amine (CID 79405962) is 2-butylpyrimidin-5-amine.
What is the SMILES notation for 2-butylpyrimidin-5-amine?
The canonical SMILES for 2-butylpyrimidin-5-amine is CCCCc1ncc(N)cn1.
What is the InChIKey of 2-butylpyrimidin-5-amine?
The InChIKey is NMBLYFKQOACXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-8-10-5-7(9)6-11-8/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-butylpyrimidin-5-amine?
2-butylpyrimidin-5-amine has a molecular weight of 151.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrimidin-5-amine is sourced from PubChem (CID 79405962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).