4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine

C9H15N3 — CID 57235119

IUPAC4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
SMILESCN1C=NC=C(C=CCCN)C1
InChIInChI=1S/C9H15N3/c1-12-7-9(6-11-8-12)4-2-3-5-10/h2,4,6,8H,3,5,7,10H2,1H3
InChIKeyPDUPECUHIJGYGW-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.75
Rot. Bonds3

About 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine

4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine (PubChem CID 57235119) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
PubChem CID57235119
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
SMILESCN1C=NC=C(C=CCCN)C1
InChIInChI=1S/C9H15N3/c1-12-7-9(6-11-8-12)4-2-3-5-10/h2,4,6,8H,3,5,7,10H2,1H3
InChIKeyPDUPECUHIJGYGW-UHFFFAOYSA-N
XLogP0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Cyclohepta[d]pyrimidine
CID 45080488
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
(E)-4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 69536246
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
5-[(Z)-but-1-enyl]-4-methyl-1,4-dihydropyrimidine
CID 123831511
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 138509396
1,7-Dihydroquinazoline;ethane
CID 142336209
4-methyl-6-methylidene-5-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 142610554
5-[(1Z)-buta-1,3-dienyl]-2-methyl-1,4-dihydropyrimidine
CID 143436370
N-propyl-N'-[(3Z)-2,2,6-trimethylhepta-3,5-dienyl]methanimidamide
CID 146593809

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine (CID 57235119) is 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine is CN1C=NC=C(C=CCCN)C1.
What is the InChIKey of 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine?
The InChIKey is PDUPECUHIJGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-7-9(6-11-8-12)4-2-3-5-10/h2,4,6,8H,3,5,7,10H2,1H3.
What are the key properties of 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine?
4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine is sourced from PubChem (CID 57235119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).