4-butyl-5-methyl-1,4-dihydropyrimidine

C9H16N2 — CID 565550

IUPAC4-butyl-5-methyl-1,4-dihydropyrimidine
SMILESCCCCC1N=CNC=C1C
InChIInChI=1S/C9H16N2/c1-3-4-5-9-8(2)6-10-7-11-9/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyKFEZQPSCENHKSG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds3

About 4-butyl-5-methyl-1,4-dihydropyrimidine

4-butyl-5-methyl-1,4-dihydropyrimidine (PubChem CID 565550) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butyl-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-butyl-5-methyl-1,4-dihydropyrimidine
PubChem CID565550
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butyl-5-methyl-1,4-dihydropyrimidine
SMILESCCCCC1N=CNC=C1C
InChIInChI=1S/C9H16N2/c1-3-4-5-9-8(2)6-10-7-11-9/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyKFEZQPSCENHKSG-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 4-butyl-5-methyl-1,4-dihydropyrimidine (CID 565550) is 4-butyl-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-butyl-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 4-butyl-5-methyl-1,4-dihydropyrimidine is CCCCC1N=CNC=C1C.
What is the InChIKey of 4-butyl-5-methyl-1,4-dihydropyrimidine?
The InChIKey is KFEZQPSCENHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-9-8(2)6-10-7-11-9/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-butyl-5-methyl-1,4-dihydropyrimidine?
4-butyl-5-methyl-1,4-dihydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 565550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).