5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

C12H13N5 — CID 135744188

IUPAC5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1c(C)c2[nH]c(N)nc(N)c2c2ccnc12
InChIInChI=1S/C12H13N5/c1-5-6(2)10-8(7-3-4-15-9(5)7)11(13)17-12(14)16-10/h3-4H,13H2,1-2H3,(H3,14,16,17)
InChIKeyOOGDDGNZVPNOES-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.89
Rot. Bonds

About 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 135744188) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID135744188
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCc1c(C)c2[nH]c(N)nc(N)c2c2ccnc12
InChIInChI=1S/C12H13N5/c1-5-6(2)10-8(7-3-4-15-9(5)7)11(13)17-12(14)16-10/h3-4H,13H2,1-2H3,(H3,14,16,17)
InChIKeyOOGDDGNZVPNOES-UHFFFAOYSA-N
XLogP1.89
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 135744188) is 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is Cc1c(C)c2[nH]c(N)nc(N)c2c2ccnc12.
What is the InChIKey of 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is OOGDDGNZVPNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-5-6(2)10-8(7-3-4-15-9(5)7)11(13)17-12(14)16-10/h3-4H,13H2,1-2H3,(H3,14,16,17).
What are the key properties of 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 135744188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).