2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine

C24H30N6O2 — CID 56584916

IUPAC2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCN(C)C(CNc1nc(NCC(c2ccco2)N(C)C)c2ccccc2n1)c1ccco1
InChIInChI=1S/C24H30N6O2/c1-29(2)19(21-11-7-13-31-21)15-25-23-17-9-5-6-10-18(17)27-24(28-23)26-16-20(30(3)4)22-12-8-14-32-22/h5-14,19-20H,15-16H2,1-4H3,(H2,25,26,27,28)
InChIKeyHIFKNFGKDCOAAR-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.25
Rot. Bonds10

About 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine

2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 56584916) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
PubChem CID56584916
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
SMILESCN(C)C(CNc1nc(NCC(c2ccco2)N(C)C)c2ccccc2n1)c1ccco1
InChIInChI=1S/C24H30N6O2/c1-29(2)19(21-11-7-13-31-21)15-25-23-17-9-5-6-10-18(17)27-24(28-23)26-16-20(30(3)4)22-12-8-14-32-22/h5-14,19-20H,15-16H2,1-4H3,(H2,25,26,27,28)
InChIKeyHIFKNFGKDCOAAR-UHFFFAOYSA-N
XLogP4.25
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine (CID 56584916) is 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine is CN(C)C(CNc1nc(NCC(c2ccco2)N(C)C)c2ccccc2n1)c1ccco1.
What is the InChIKey of 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is HIFKNFGKDCOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-29(2)19(21-11-7-13-31-21)15-25-23-17-9-5-6-10-18(17)27-24(28-23)26-16-20(30(3)4)22-12-8-14-32-22/h5-14,19-20H,15-16H2,1-4H3,(H2,25,26,27,28).
What are the key properties of 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine?
2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 434.54 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 56584916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).