5-butylpyrimidin-2-amine

C8H13N3 — CID 45071698

IUPAC5-butylpyrimidin-2-amine
SMILESCCCCc1cnc(N)nc1
InChIInChI=1S/C8H13N3/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyPEGFTXKDCHKJCQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds3

About 5-butylpyrimidin-2-amine

5-butylpyrimidin-2-amine (PubChem CID 45071698) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-butylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butylpyrimidin-2-amine
PubChem CID45071698
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-butylpyrimidin-2-amine
SMILESCCCCc1cnc(N)nc1
InChIInChI=1S/C8H13N3/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3,(H2,9,10,11)
InChIKeyPEGFTXKDCHKJCQ-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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Frequently Asked Questions

What is the IUPAC name of 5-butylpyrimidin-2-amine?
The IUPAC name of 5-butylpyrimidin-2-amine (CID 45071698) is 5-butylpyrimidin-2-amine.
What is the SMILES notation for 5-butylpyrimidin-2-amine?
The canonical SMILES for 5-butylpyrimidin-2-amine is CCCCc1cnc(N)nc1.
What is the InChIKey of 5-butylpyrimidin-2-amine?
The InChIKey is PEGFTXKDCHKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 5-butylpyrimidin-2-amine?
5-butylpyrimidin-2-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 5-butylpyrimidin-2-amine is sourced from PubChem (CID 45071698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).