(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium

C7H13N4+ — CID 137161393

IUPAC(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium
SMILESCC=[N+](C)C1=CC(N)=NCN1
InChIInChI=1S/C7H13N4/c1-3-11(2)7-4-6(8)9-5-10-7/h3-4,10H,5H2,1-2H3,(H2,8,9)/q+1
InChIKeyFBESCBXDVDOTMV-UHFFFAOYSA-N
MW153.21 g/mol
LogP-0.52
Rot. Bonds1

About (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium

(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium (PubChem CID 137161393) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium.

Molecular Properties

Compound Name(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium
PubChem CID137161393
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium
SMILESCC=[N+](C)C1=CC(N)=NCN1
InChIInChI=1S/C7H13N4/c1-3-11(2)7-4-6(8)9-5-10-7/h3-4,10H,5H2,1-2H3,(H2,8,9)/q+1
InChIKeyFBESCBXDVDOTMV-UHFFFAOYSA-N
XLogP-0.52
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium?
The IUPAC name of (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium (CID 137161393) is (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium.
What is the SMILES notation for (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium?
The canonical SMILES for (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium is CC=[N+](C)C1=CC(N)=NCN1.
What is the InChIKey of (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium?
The InChIKey is FBESCBXDVDOTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4/c1-3-11(2)7-4-6(8)9-5-10-7/h3-4,10H,5H2,1-2H3,(H2,8,9)/q+1.
What are the key properties of (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium?
(4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium has a molecular weight of 153.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-dihydropyrimidin-6-yl)-ethylidene-methylazanium is sourced from PubChem (CID 137161393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).