N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine

C10H15N3 — CID 169137398

IUPACN-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCc1ncc(C)cn1
InChIInChI=1S/C10H15N3/c1-3-4-5-11-8-10-12-6-9(2)7-13-10/h3,6-7,11H,1,4-5,8H2,2H3
InChIKeyNJMYKTBBZDBRFQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.45
Rot. Bonds5

About N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine

N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine (PubChem CID 169137398) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine
PubChem CID169137398
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine
SMILESC=CCCNCc1ncc(C)cn1
InChIInChI=1S/C10H15N3/c1-3-4-5-11-8-10-12-6-9(2)7-13-10/h3,6-7,11H,1,4-5,8H2,2H3
InChIKeyNJMYKTBBZDBRFQ-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
Aminomethylpyrimidine
CID 6946837
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
N-allyl-N-(2-pyrimidinyl)amine
CID 3281441
N-ethylpyrimidin-2-amine
CID 12692691
N-propylpyrimidin-2-amine
CID 21642342
Pyrimidine, 2-(1,1-dimethylethyl)-
CID 94597
2-Pyrimidinemethanamine
CID 4658047
N-methylpyrimidine-2-carboximidamide
CID 57780677
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine (CID 169137398) is N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine is C=CCCNCc1ncc(C)cn1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine?
The InChIKey is NJMYKTBBZDBRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-11-8-10-12-6-9(2)7-13-10/h3,6-7,11H,1,4-5,8H2,2H3.
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine?
N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 169137398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).