N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine

C11H17N3 — CID 67889889

IUPACN,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine
SMILESC=CCc1cnc(CN(C)C)nc1C
InChIInChI=1S/C11H17N3/c1-5-6-10-7-12-11(8-14(3)4)13-9(10)2/h5,7H,1,6,8H2,2-4H3
InChIKeyWMTYMQDIGGASSK-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds4

About N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine

N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine (PubChem CID 67889889) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine
PubChem CID67889889
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine
SMILESC=CCc1cnc(CN(C)C)nc1C
InChIInChI=1S/C11H17N3/c1-5-6-10-7-12-11(8-14(3)4)13-9(10)2/h5,7H,1,6,8H2,2-4H3
InChIKeyWMTYMQDIGGASSK-UHFFFAOYSA-N
XLogP1.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine 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 N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine (CID 67889889) is N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine is C=CCc1cnc(CN(C)C)nc1C.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine?
The InChIKey is WMTYMQDIGGASSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-6-10-7-12-11(8-14(3)4)13-9(10)2/h5,7H,1,6,8H2,2-4H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine?
N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-5-prop-2-enylpyrimidin-2-yl)methanamine is sourced from PubChem (CID 67889889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).