4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide

C10H14N4 — CID 136623492

IUPAC4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide
SMILES[H]/N=C(\N)C1=C2NC=NC(C)C2=CCC1
InChIInChI=1S/C10H14N4/c1-6-7-3-2-4-8(10(11)12)9(7)14-5-13-6/h3,5-6H,2,4H2,1H3,(H3,11,12)(H,13,14)
InChIKeyHCUSALLYNSHGCT-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds1

About 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide

4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide (PubChem CID 136623492) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide.

Molecular Properties

Compound Name4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide
PubChem CID136623492
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide
SMILES[H]/N=C(\N)C1=C2NC=NC(C)C2=CCC1
InChIInChI=1S/C10H14N4/c1-6-7-3-2-4-8(10(11)12)9(7)14-5-13-6/h3,5-6H,2,4H2,1H3,(H3,11,12)(H,13,14)
InChIKeyHCUSALLYNSHGCT-UHFFFAOYSA-N
XLogP0.92
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
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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Related Compounds

(E)-5-(5-ethyl-6-imino-1-propan-2-ylpyrimidin-4-yl)-N-(2-fluoroethyl)-4-methylpent-4-en-1-amine
CID 170077933
4-N,4-N-dimethyl-8,8a-dihydroquinazoline-2,4-diamine
CID 142229046
Aminopyrimidoindole
CID 137231917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide?
The IUPAC name of 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide (CID 136623492) is 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide.
What is the SMILES notation for 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide?
The canonical SMILES for 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide is [H]/N=C(\N)C1=C2NC=NC(C)C2=CCC1.
What is the InChIKey of 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide?
The InChIKey is HCUSALLYNSHGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-6-7-3-2-4-8(10(11)12)9(7)14-5-13-6/h3,5-6H,2,4H2,1H3,(H3,11,12)(H,13,14).
What are the key properties of 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide?
4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide has a molecular weight of 190.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4,6,7-tetrahydroquinazoline-8-carboximidamide is sourced from PubChem (CID 136623492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).