2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine

C12H24N2 — CID 14457265

IUPAC2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCCCC(CC)C1=NCCCN1C
InChIInChI=1S/C12H24N2/c1-4-6-8-11(5-2)12-13-9-7-10-14(12)3/h11H,4-10H2,1-3H3
InChIKeyFTKOUDOKOBYDKB-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.94
Rot. Bonds5

About 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine

2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine (PubChem CID 14457265) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine
PubChem CID14457265
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine
SMILESCCCCC(CC)C1=NCCCN1C
InChIInChI=1S/C12H24N2/c1-4-6-8-11(5-2)12-13-9-7-10-14(12)3/h11H,4-10H2,1-3H3
InChIKeyFTKOUDOKOBYDKB-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine (CID 14457265) is 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine is CCCCC(CC)C1=NCCCN1C.
What is the InChIKey of 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is FTKOUDOKOBYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-8-11(5-2)12-13-9-7-10-14(12)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine?
2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 196.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-1-methyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 14457265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).