6-(3-methylbutyl)-1,2-dihydropyrimidine

C9H16N2 — CID 121383170

IUPAC6-(3-methylbutyl)-1,2-dihydropyrimidine
SMILESCC(C)CCC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-8(2)3-4-9-5-6-10-7-11-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyDPJHJKWTQDYQJV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds3

About 6-(3-methylbutyl)-1,2-dihydropyrimidine

6-(3-methylbutyl)-1,2-dihydropyrimidine (PubChem CID 121383170) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(3-methylbutyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-(3-methylbutyl)-1,2-dihydropyrimidine
PubChem CID121383170
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-(3-methylbutyl)-1,2-dihydropyrimidine
SMILESCC(C)CCC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-8(2)3-4-9-5-6-10-7-11-9/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyDPJHJKWTQDYQJV-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-1,2-dihydropyrimidine?
The IUPAC name of 6-(3-methylbutyl)-1,2-dihydropyrimidine (CID 121383170) is 6-(3-methylbutyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 6-(3-methylbutyl)-1,2-dihydropyrimidine?
The canonical SMILES for 6-(3-methylbutyl)-1,2-dihydropyrimidine is CC(C)CCC1=CC=NCN1.
What is the InChIKey of 6-(3-methylbutyl)-1,2-dihydropyrimidine?
The InChIKey is DPJHJKWTQDYQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)3-4-9-5-6-10-7-11-9/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-1,2-dihydropyrimidine?
6-(3-methylbutyl)-1,2-dihydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 121383170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).