4H-pyrimidine-3-carboximidamide

C5H8N4 — CID 22629403

IUPAC4H-pyrimidine-3-carboximidamide
SMILES[H]/N=C(\N)N1C=NC=CC1
InChIInChI=1S/C5H8N4/c6-5(7)9-3-1-2-8-4-9/h1-2,4H,3H2,(H3,6,7)
InChIKeyYVAREUJIYDIBLX-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.26
Rot. Bonds

About 4H-pyrimidine-3-carboximidamide

4H-pyrimidine-3-carboximidamide (PubChem CID 22629403) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4H-pyrimidine-3-carboximidamide.

Molecular Properties

Compound Name4H-pyrimidine-3-carboximidamide
PubChem CID22629403
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4H-pyrimidine-3-carboximidamide
SMILES[H]/N=C(\N)N1C=NC=CC1
InChIInChI=1S/C5H8N4/c6-5(7)9-3-1-2-8-4-9/h1-2,4H,3H2,(H3,6,7)
InChIKeyYVAREUJIYDIBLX-UHFFFAOYSA-N
XLogP-0.26
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 1-allyl-1,2-dihydro-2-imino-
CID 129348178
N-Methyl-dihydro-iminopyrimidine
CID 18428588
3-Methyl-3,4-dihydro-2(1H)-pyrimidinimin
CID 91165700
3,4-Dihydro-3-methyl-4-pyrimidinamine
CID 45116685
1-prop-2-enyl-2H-1,3,5-triazine-2,4,6-triamine
CID 19871397
3-ethenyl-4H-pyrimidine
CID 54536105
1,3-Diazepine-1-carboximidamide
CID 57033989
3-prop-2-enyl-4H-pyrimidin-2-amine
CID 68663759
N'-hydroxy-4H-pyrimidine-3-carboximidamide
CID 87186990
1-Ethenyl-1-prop-2-enylguanidine
CID 88836888
1-[(Z)-prop-1-enyl]-1,3,5-triazin-2-imine
CID 132192343
6-Methylidene-1-(methyliminomethyl)pyrimidin-2-amine
CID 143480405

Frequently Asked Questions

What is the IUPAC name of 4H-pyrimidine-3-carboximidamide?
The IUPAC name of 4H-pyrimidine-3-carboximidamide (CID 22629403) is 4H-pyrimidine-3-carboximidamide.
What is the SMILES notation for 4H-pyrimidine-3-carboximidamide?
The canonical SMILES for 4H-pyrimidine-3-carboximidamide is [H]/N=C(\N)N1C=NC=CC1.
What is the InChIKey of 4H-pyrimidine-3-carboximidamide?
The InChIKey is YVAREUJIYDIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-5(7)9-3-1-2-8-4-9/h1-2,4H,3H2,(H3,6,7).
What are the key properties of 4H-pyrimidine-3-carboximidamide?
4H-pyrimidine-3-carboximidamide has a molecular weight of 124.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrimidine-3-carboximidamide is sourced from PubChem (CID 22629403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).