5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine

C9H14N4 — CID 170495291

IUPAC5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
SMILESCNCCC=Cc1cnc(N)nc1
InChIInChI=1S/C9H14N4/c1-11-5-3-2-4-8-6-12-9(10)13-7-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,12,13)
InChIKeyWRBSLJCLYOSUEI-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.68
Rot. Bonds4

About 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine

5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine (PubChem CID 170495291) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
PubChem CID170495291
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
SMILESCNCCC=Cc1cnc(N)nc1
InChIInChI=1S/C9H14N4/c1-11-5-3-2-4-8-6-12-9(10)13-7-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,12,13)
InChIKeyWRBSLJCLYOSUEI-UHFFFAOYSA-N
XLogP0.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine (CID 170495291) is 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine is CNCCC=Cc1cnc(N)nc1.
What is the InChIKey of 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine?
The InChIKey is WRBSLJCLYOSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-11-5-3-2-4-8-6-12-9(10)13-7-8/h2,4,6-7,11H,3,5H2,1H3,(H2,10,12,13).
What are the key properties of 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine?
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine has a molecular weight of 178.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine is sourced from PubChem (CID 170495291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).