acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C17H21N5O4 — CID 172762962

IUPACacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1
InChIInChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4)
InChIKeyLXZDXENGKIVNPY-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.47
Rot. Bonds2

About acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 172762962) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Nameacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID172762962
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Nameacetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1
InChIInChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4)
InChIKeyLXZDXENGKIVNPY-UHFFFAOYSA-N
XLogP1.47
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
CID 24946753
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67430694
4-[(3S)-3-aminopiperidin-1-yl]-8-methoxy-[1]benzofuro[3,2-d]pyrimidin-2-amine;sulfane
CID 158519057
9-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 44628804
8-bromo-4-[(3S)-3-methylpiperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24946004
8,9-dichloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429907
[(3S)-1-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl] N-methylcarbamate
CID 69153381
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-8-chloro-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 53476461
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine
CID 11461849

Frequently Asked Questions

What is the IUPAC name of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 172762962) is acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is CC(=O)O.COc1ccc2oc3c(N4CCNCC4)nc(N)nc3c2c1.
What is the InChIKey of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is LXZDXENGKIVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.C2H4O2/c1-21-9-2-3-11-10(8-9)12-13(22-11)14(19-15(16)18-12)20-6-4-17-5-7-20;1-2(3)4/h2-3,8,17H,4-7H2,1H3,(H2,16,18,19);1H3,(H,3,4).
What are the key properties of acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 172762962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).