1,2,3,4-tetrahydropyrimidine-5-carboximidamide

C5H10N4 — CID 140735383

IUPAC1,2,3,4-tetrahydropyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)C1=CNCNC1
InChIInChI=1S/C5H10N4/c6-5(7)4-1-8-3-9-2-4/h1,8-9H,2-3H2,(H3,6,7)
InChIKeyBKARLFGDQNNESK-UHFFFAOYSA-N
MW126.16 g/mol
LogP-1.04
Rot. Bonds1

About 1,2,3,4-tetrahydropyrimidine-5-carboximidamide

1,2,3,4-tetrahydropyrimidine-5-carboximidamide (PubChem CID 140735383) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrimidine-5-carboximidamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrimidine-5-carboximidamide
PubChem CID140735383
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1,2,3,4-tetrahydropyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)C1=CNCNC1
InChIInChI=1S/C5H10N4/c6-5(7)4-1-8-3-9-2-4/h1,8-9H,2-3H2,(H3,6,7)
InChIKeyBKARLFGDQNNESK-UHFFFAOYSA-N
XLogP-1.04
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrimidine-5-carboximidamide?
The IUPAC name of 1,2,3,4-tetrahydropyrimidine-5-carboximidamide (CID 140735383) is 1,2,3,4-tetrahydropyrimidine-5-carboximidamide.
What is the SMILES notation for 1,2,3,4-tetrahydropyrimidine-5-carboximidamide?
The canonical SMILES for 1,2,3,4-tetrahydropyrimidine-5-carboximidamide is [H]/N=C(\N)C1=CNCNC1.
What is the InChIKey of 1,2,3,4-tetrahydropyrimidine-5-carboximidamide?
The InChIKey is BKARLFGDQNNESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-5(7)4-1-8-3-9-2-4/h1,8-9H,2-3H2,(H3,6,7).
What are the key properties of 1,2,3,4-tetrahydropyrimidine-5-carboximidamide?
1,2,3,4-tetrahydropyrimidine-5-carboximidamide has a molecular weight of 126.16 g/mol, XLogP of -1.04, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrimidine-5-carboximidamide is sourced from PubChem (CID 140735383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).