(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium

C7H13N3 — CID 58832406

IUPAC(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
SMILES[CH2-][NH2+]C1=NCC(CC)=CN1
InChIInChI=1S/C7H13N3/c1-3-6-4-9-7(8-2)10-5-6/h4H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyBJLMIVMWBMVCHZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.41
Rot. Bonds1

About (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium

(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium (PubChem CID 58832406) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium.

Molecular Properties

Compound Name(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
PubChem CID58832406
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
SMILES[CH2-][NH2+]C1=NCC(CC)=CN1
InChIInChI=1S/C7H13N3/c1-3-6-4-9-7(8-2)10-5-6/h4H,2-3,5,8H2,1H3,(H,9,10)
InChIKeyBJLMIVMWBMVCHZ-UHFFFAOYSA-N
XLogP-0.41
TPSA41.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium?
The IUPAC name of (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium (CID 58832406) is (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium.
What is the SMILES notation for (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium?
The canonical SMILES for (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium is [CH2-][NH2+]C1=NCC(CC)=CN1.
What is the InChIKey of (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium?
The InChIKey is BJLMIVMWBMVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-6-4-9-7(8-2)10-5-6/h4H,2-3,5,8H2,1H3,(H,9,10).
What are the key properties of (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium?
(5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium has a molecular weight of 139.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium is sourced from PubChem (CID 58832406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).