2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine

C24H35ClN10O4 — CID 158035672

IUPAC2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
SMILESCOc1cc2nc(Cl)nc(N)c2cc1OC.COc1cc2nc(NCCN)nc(N)c2cc1OC.NCCN
InChIInChI=1S/C12H17N5O2.C10H10ClN3O2.C2H8N2/c1-18-9-5-7-8(6-10(9)19-2)16-12(15-4-3-13)17-11(7)14;1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12;3-1-2-4/h5-6H,3-4,13H2,1-2H3,(H3,14,15,16,17);3-4H,1-2H3,(H2,12,13,14);1-4H2
InChIKeyFHSHXUAYFOXVIW-UHFFFAOYSA-N
MW563.06 g/mol
LogP1.39
Rot. Bonds8

About 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine

2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine (PubChem CID 158035672) has the molecular formula C24H35ClN10O4 and a molecular weight of 563.06 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
PubChem CID158035672
Molecular FormulaC24H35ClN10O4
Molecular Weight563.06 g/mol
Exact Mass562.25
IUPAC Name2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine
SMILESCOc1cc2nc(Cl)nc(N)c2cc1OC.COc1cc2nc(NCCN)nc(N)c2cc1OC.NCCN
InChIInChI=1S/C12H17N5O2.C10H10ClN3O2.C2H8N2/c1-18-9-5-7-8(6-10(9)19-2)16-12(15-4-3-13)17-11(7)14;1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12;3-1-2-4/h5-6H,3-4,13H2,1-2H3,(H3,14,15,16,17);3-4H,1-2H3,(H2,12,13,14);1-4H2
InChIKeyFHSHXUAYFOXVIW-UHFFFAOYSA-N
XLogP1.39
TPSA230.61 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500563.06
LogP ≤ 51.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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Related Compounds

2-N-[6-[2-[2-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]hexylamino]ethyldisulfanyl]ethylamino]hexyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 10010336
2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 169437840
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 135134604
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]propyl]-N-methylbenzamide;hydrochloride
CID 3049725
7-(2-aminoethoxy)-2-N,4-N-dihexyl-6-methoxyquinazoline-2,4-diamine
CID 171853001
2-N-(dicyclopropylmethyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 133333792
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 22692934
6,7-dimethoxy-2-N-[1-(4-methoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 44523304
1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)oxy-2-methylpropan-2-amine
CID 154538664

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine (CID 158035672) is 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine is COc1cc2nc(Cl)nc(N)c2cc1OC.COc1cc2nc(NCCN)nc(N)c2cc1OC.NCCN.
What is the InChIKey of 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine?
The InChIKey is FHSHXUAYFOXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2.C10H10ClN3O2.C2H8N2/c1-18-9-5-7-8(6-10(9)19-2)16-12(15-4-3-13)17-11(7)14;1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12;3-1-2-4/h5-6H,3-4,13H2,1-2H3,(H3,14,15,16,17);3-4H,1-2H3,(H2,12,13,14);1-4H2.
What are the key properties of 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine?
2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine has a molecular weight of 563.06 g/mol, XLogP of 1.39, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-6,7-dimethoxyquinazoline-2,4-diamine;2-chloro-6,7-dimethoxyquinazolin-4-amine;ethane-1,2-diamine is sourced from PubChem (CID 158035672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).