5-butan-2-ylpyrimidin-4-amine

C8H13N3 — CID 176568045

IUPAC5-butan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1cncnc1N
InChIInChI=1S/C8H13N3/c1-3-6(2)7-4-10-5-11-8(7)9/h4-6H,3H2,1-2H3,(H2,9,10,11)
InChIKeyWNNIFVDDQNEZGA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 5-butan-2-ylpyrimidin-4-amine

5-butan-2-ylpyrimidin-4-amine (PubChem CID 176568045) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-butan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-butan-2-ylpyrimidin-4-amine
PubChem CID176568045
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-butan-2-ylpyrimidin-4-amine
SMILESCCC(C)c1cncnc1N
InChIInChI=1S/C8H13N3/c1-3-6(2)7-4-10-5-11-8(7)9/h4-6H,3H2,1-2H3,(H2,9,10,11)
InChIKeyWNNIFVDDQNEZGA-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

5-butan-2-yl-4-methylpyrimidine
CID 138494924
5-butan-2-yl-4-propan-2-ylpyrimidine
CID 126657195
N-(5-butan-2-ylpyrimidin-4-yl)methanimine
CID 176663745
5-butan-2-yl-8-propan-2-ylquinazoline
CID 138572874
7-butan-2-ylfuro[3,2-d]pyrimidine
CID 145188383
4-butan-2-ylpyridine-2,3-diamine
CID 175182735
5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine
CID 100590896
5-propan-2-yloxypyrimidin-4-amine
CID 118598636
5-but-1-ynylpyrimidin-4-amine
CID 164867669
4-butan-2-yl-3-methylpyridine
CID 66641815
4-[[4-amino-3,5-di(butan-2-yl)phenyl]methyl]-2,6-di(butan-2-yl)aniline
CID 18538234
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-butan-2-ylpyrimidin-4-amine (CID 176568045) is 5-butan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-butan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-butan-2-ylpyrimidin-4-amine is CCC(C)c1cncnc1N.
What is the InChIKey of 5-butan-2-ylpyrimidin-4-amine?
The InChIKey is WNNIFVDDQNEZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-6(2)7-4-10-5-11-8(7)9/h4-6H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 5-butan-2-ylpyrimidin-4-amine?
5-butan-2-ylpyrimidin-4-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 5-butan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 176568045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).