3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine

C9H18N2 — CID 21486752

IUPAC3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCN1C=CCNC1C
InChIInChI=1S/C9H18N2/c1-3-4-7-11-8-5-6-10-9(11)2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyZPOKGRVLCZSAHU-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds3

About 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine

3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine (PubChem CID 21486752) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine
PubChem CID21486752
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCN1C=CCNC1C
InChIInChI=1S/C9H18N2/c1-3-4-7-11-8-5-6-10-9(11)2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyZPOKGRVLCZSAHU-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine (CID 21486752) is 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine is CCCCN1C=CCNC1C.
What is the InChIKey of 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is ZPOKGRVLCZSAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-7-11-8-5-6-10-9(11)2/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine?
3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 154.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 21486752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).