N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine

C8H11N3 — CID 62758916

IUPACN-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ccncn1
InChIInChI=1S/C8H11N3/c1-2-4-9-6-8-3-5-10-7-11-8/h2-3,5,7,9H,1,4,6H2
InChIKeyZRCLKIPLHBSSTM-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.75
Rot. Bonds4

About N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine

N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 62758916) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
PubChem CID62758916
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ccncn1
InChIInChI=1S/C8H11N3/c1-2-4-9-6-8-3-5-10-7-11-8/h2-3,5,7,9H,1,4,6H2
InChIKeyZRCLKIPLHBSSTM-UHFFFAOYSA-N
XLogP0.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine (CID 62758916) is N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine is C=CCNCc1ccncn1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is ZRCLKIPLHBSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-9-6-8-3-5-10-7-11-8/h2-3,5,7,9H,1,4,6H2.
What are the key properties of N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine?
N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 149.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 62758916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).