N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C9H17N3 — CID 126987116

IUPACN-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=C(CC)CNC1=NCCCN1
InChIInChI=1S/C9H17N3/c1-3-8(2)7-12-9-10-5-4-6-11-9/h2-7H2,1H3,(H2,10,11,12)
InChIKeyLSLYZRZFYPGXEQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.89
Rot. Bonds3

About N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 126987116) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID126987116
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=C(CC)CNC1=NCCCN1
InChIInChI=1S/C9H17N3/c1-3-8(2)7-12-9-10-5-4-6-11-9/h2-7H2,1H3,(H2,10,11,12)
InChIKeyLSLYZRZFYPGXEQ-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
2-(2-Methylprop-2-enyl)-1-propylguanidine
CID 115612298
N-but-3-en-2-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513080
5,5-dimethyl-N-(3-methylbut-2-enyl)-4,6-dihydro-1H-pyrimidin-2-amine
CID 130513110
1,1,2-Trimethyl-3-(2-methylprop-2-enyl)guanidine
CID 130701599

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 126987116) is N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine is C=C(CC)CNC1=NCCCN1.
What is the InChIKey of N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is LSLYZRZFYPGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(2)7-12-9-10-5-4-6-11-9/h2-7H2,1H3,(H2,10,11,12).
What are the key properties of N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 126987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).