4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine

C10H15N3 — CID 115637231

IUPAC4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
SMILESC/C=C/CCNc1nccc(C)n1
InChIInChI=1S/C10H15N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+
InChIKeyZIXZFOMRHMQJNO-ONEGZZNKSA-N
MW177.25 g/mol
LogP2.16
Rot. Bonds4

About 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine

4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine (PubChem CID 115637231) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
PubChem CID115637231
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
SMILESC/C=C/CCNc1nccc(C)n1
InChIInChI=1S/C10H15N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+
InChIKeyZIXZFOMRHMQJNO-ONEGZZNKSA-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': '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 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine (CID 115637231) is 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine is C/C=C/CCNc1nccc(C)n1.
What is the InChIKey of 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
The InChIKey is ZIXZFOMRHMQJNO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-4-5-7-11-10-12-8-6-9(2)13-10/h3-4,6,8H,5,7H2,1-2H3,(H,11,12,13)/b4-3+.
What are the key properties of 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine?
4-methyl-N-[(E)-pent-3-enyl]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 4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine is sourced from PubChem (CID 115637231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).