5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine

C10H15N3 — CID 126987115

IUPAC5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
SMILESC=C(CC)CNc1ncc(C)cn1
InChIInChI=1S/C10H15N3/c1-4-8(2)5-11-10-12-6-9(3)7-13-10/h6-7H,2,4-5H2,1,3H3,(H,11,12,13)
InChIKeyFSQAFBSMMPVQBZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.16
Rot. Bonds4

About 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine

5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine (PubChem CID 126987115) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
PubChem CID126987115
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
SMILESC=C(CC)CNc1ncc(C)cn1
InChIInChI=1S/C10H15N3/c1-4-8(2)5-11-10-12-6-9(3)7-13-10/h6-7H,2,4-5H2,1,3H3,(H,11,12,13)
InChIKeyFSQAFBSMMPVQBZ-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(2-methylidenebutyl)pyrimidin-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-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433
6-methyl-N-(2-methylidenebutyl)pyrimidin-4-amine
CID 131071652
3,5-difluoro-N-(2-methylidenebutyl)pyridin-2-amine
CID 130632036
N-(2-ethoxypropyl)-5-methylpyrimidin-2-amine
CID 115774164
3-chloro-N-(2-methylidenebutyl)pyrazin-2-amine
CID 131187821
2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
CID 116975357
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
N-but-2-ynyl-5-methylpyrimidin-2-amine
CID 115903936
2-(1-ethoxyethenyl)-5-methylpyrimidine
CID 14321001

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine (CID 126987115) is 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine is C=C(CC)CNc1ncc(C)cn1.
What is the InChIKey of 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine?
The InChIKey is FSQAFBSMMPVQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-8(2)5-11-10-12-6-9(3)7-13-10/h6-7H,2,4-5H2,1,3H3,(H,11,12,13).
What are the key properties of 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine?
5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine is sourced from PubChem (CID 126987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).