N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

C6H12N4 — CID 58655493

IUPACN-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC/C=N/NC1=NCCCN1
InChIInChI=1S/C6H12N4/c1-2-9-10-6-7-4-3-5-8-6/h2H,3-5H2,1H3,(H2,7,8,10)/b9-2+
InChIKeyQEGRMIKFWZARRT-XNWCZRBMSA-N
MW140.19 g/mol
LogP-0.07
Rot. Bonds1

About N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 58655493) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID58655493
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC/C=N/NC1=NCCCN1
InChIInChI=1S/C6H12N4/c1-2-9-10-6-7-4-3-5-8-6/h2H,3-5H2,1H3,(H2,7,8,10)/b9-2+
InChIKeyQEGRMIKFWZARRT-XNWCZRBMSA-N
XLogP-0.07
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 58655493) is N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is C/C=N/NC1=NCCCN1.
What is the InChIKey of N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is QEGRMIKFWZARRT-XNWCZRBMSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-9-10-6-7-4-3-5-8-6/h2H,3-5H2,1H3,(H2,7,8,10)/b9-2+.
What are the key properties of N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 140.19 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 58655493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).