N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine

C9H13N3 — CID 61380822

IUPACN-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
SMILESC=CCC(NC)c1ncccn1
InChIInChI=1S/C9H13N3/c1-3-5-8(10-2)9-11-6-4-7-12-9/h3-4,6-8,10H,1,5H2,2H3
InChIKeyRVLBAGILKUHLML-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine

N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine (PubChem CID 61380822) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
PubChem CID61380822
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-methyl-1-pyrimidin-2-ylbut-3-en-1-amine
SMILESC=CCC(NC)c1ncccn1
InChIInChI=1S/C9H13N3/c1-3-5-8(10-2)9-11-6-4-7-12-9/h3-4,6-8,10H,1,5H2,2H3
InChIKeyRVLBAGILKUHLML-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-phenyl-1-pyrimidin-2-ylethanamine
CID 60820448
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
1-(furan-2-yl)-N-methylbut-3-en-1-amine
CID 62715262
1-(2-methyl-3-pyridinyl)but-3-enylhydrazine
CID 105289607
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
CID 103444341
1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
CID 61380748
2-(4-tert-butylphenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62599855
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296
3-butoxy-N-methyl-1-pyrimidin-2-ylpropan-1-amine
CID 115001546
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine?
The IUPAC name of N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine (CID 61380822) is N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine?
The canonical SMILES for N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine is C=CCC(NC)c1ncccn1.
What is the InChIKey of N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine?
The InChIKey is RVLBAGILKUHLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-5-8(10-2)9-11-6-4-7-12-9/h3-4,6-8,10H,1,5H2,2H3.
What are the key properties of N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine?
N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 61380822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).