2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C11H18N4 — CID 105459542

IUPAC2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(N)Cc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C11H18N4/c1-7(12)6-10-14-9-5-3-2-4-8(9)11(13)15-10/h7H,2-6,12H2,1H3,(H2,13,14,15)
InChIKeyDYLCCSFATRJQBT-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.83
Rot. Bonds2

About 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 105459542) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID105459542
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCC(N)Cc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C11H18N4/c1-7(12)6-10-14-9-5-3-2-4-8(9)11(13)15-10/h7H,2-6,12H2,1H3,(H2,13,14,15)
InChIKeyDYLCCSFATRJQBT-UHFFFAOYSA-N
XLogP0.83
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 105459542) is 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CC(N)Cc1nc(N)c2c(n1)CCCC2.
What is the InChIKey of 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is DYLCCSFATRJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-7(12)6-10-14-9-5-3-2-4-8(9)11(13)15-10/h7H,2-6,12H2,1H3,(H2,13,14,15).
What are the key properties of 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 105459542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).